SCHEMBL4453401

SCHEMBL4453401

O=C1CCC2CCCN12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5771268 1.00
SCHEMBL15919925 0.93 NOS3 (0.48)
SCHEMBL8561861 0.93 NOS3 (0.48)
SCHEMBL16854923 0.93 NOS3 (0.48)
SCHEMBL2598810 0.91 NOS1 (0.50)
SCHEMBL5026142 0.88 NOS1 (0.48)
SCHEMBL5832697 0.86 NOS3 (0.47)
SCHEMBL11842283 0.86 NOS3 (0.45)
SCHEMBL6335314 0.86 NOS3 (0.45)
SCHEMBL23917218 0.84 NOS3 (0.43)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 108 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216951-B1 KRAS G12D INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-04-01 EP claimed
US-20250000863-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH SOS1 INHIBITORS MIRATI THERAPEUTICS, INC 2025-01-02 US claimed
US-20240423984-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH SHP-2 INHIBITORS MIRATI THERAPEUTICS, INC 2024-12-26 US claimed
US-20240408099-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH Pan ErbB FAMILY INHIBITORS MIRATI THERAPEUTICS, INC 2024-12-12 US claimed
EP-4412717-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH PAN ERBB FAMILY INHIBITORS Mirati Therapeutics, Inc. (US) 2024-08-14 EP claimed
EP-4412719-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH SHP-2 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-08-14 EP claimed
EP-4412718-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-08-14 EP claimed
CN-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 CN claimed
CN-117651700-A 2-aminobenzothiazole compounds and methods of use 安进公司 2024-03-05 CN claimed
US-20230357277-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-11-09 US claimed
EP-4216951-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-02 EP claimed
WO-2023059596-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH Pan ErbB FAMILY INHIBITORS Mirati Therapeutics, Inc. (US) 2023-04-13 WO claimed
WO-2023059597-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2023-04-13 WO claimed
WO-2023059598-A1 COMBINATION THERAPIES OF KRAS G12D INHIBITORS WITH SHP-2 INHIBITORS Mirati Therapeutics, Inc. (US) 2023-04-13 WO claimed
US-11453683-B1 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2022-09-27 US claimed
EP-4021444-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-07-06 EP claimed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 CN claimed
WO-2022066646-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-03-31 WO claimed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 WO claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
US-20260109714-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-04-23 US disclosed
EP-4216951-B1 KRAS G12D INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-04-01 EP disclosed
WO-2025217015-A1 COMBINATION THERAPIES USING PRMT5 INHIBITORS AND KRAS G12D INHIBITORS FOR THE TREATMENT OF CANCER Mirati Therapeutics, Inc. (US) 2025-10-16 WO disclosed
US-20250312343-A1 COMBINATION THERAPIES USING PRMT5 INHIBITORS AND KRAS G12D INHIBITORS FOR THE TREATMENT OF CANCER Mirati Therapeutics, Inc. (US) 2025-10-09 US disclosed
EP-4592295-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2025-07-30 EP disclosed
US-20250186456-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2025-06-12 US disclosed
EP-4540226-A1 BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION Amphista Therapeutics Ltd (GB) 2025-04-23 EP disclosed
US-12281127-B2 Pyrido[4,3-d]pyrimidine compounds PFIZER INC. (US) 2025-04-22 US disclosed
US-20240309020-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2024-09-19 US disclosed
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
US-20240270758-A1 PYRIDINO-OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ZHEJIANG GENFLEET THERAPEUTICS CO., LTD. (CN) 2024-08-15 US disclosed
US-20240254129-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-08-01 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4397664-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-07-10 EP disclosed
US-20240174691-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-05-30 US disclosed
US-11964989-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2024-04-23 US disclosed
CN-117916245-A Pyrimidine ring compound and preparation method and application thereof 劲方医药科技(上海)有限公司 2024-04-19 CN disclosed
CN-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 CN disclosed
CN-116057059-B Deuterated compounds useful as KRAS G12D inhibitors 南京燧坤智能科技有限公司 2024-03-08 CN disclosed
EP-4332105-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-03-06 EP disclosed
EP-4329888-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Amgen Inc. (US) 2024-03-06 EP disclosed
CN-117651700-A 2-aminobenzothiazole compounds and methods of use 安进公司 2024-03-05 CN disclosed
EP-4310091-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-24 EP disclosed
WO-2023242597-A1 BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2023-12-21 WO disclosed
EP-4291199-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2023-12-20 EP disclosed
CN-117222650-A Pyridine or pyrimido-ring compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2023-12-12 CN disclosed
CN-117043167-A Pyrimidine ring compound and preparation method and application thereof 劲方医药科技(上海)有限公司 2023-11-10 CN disclosed
US-20230357277-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-11-09 US disclosed
US-20230339976-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. 2023-10-26 US disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
EP-4216951-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-02 EP disclosed
EP-4192585-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-06-14 EP disclosed
EP-4182313-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-05-24 EP disclosed
CN-116057059-A Deuterated compounds useful as KRAS G12D inhibitors 南京燧坤智能科技有限公司 2023-05-02 CN disclosed
US-20230077225-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. 2023-03-09 US disclosed
WO-2022262838-A1 DEUTERATED COMPOUNDS USEFUL AS KRAS G12D INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2022-12-22 WO disclosed
WO-2022232332-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMGEN INC. (US) 2022-11-03 WO disclosed
US-11453683-B1 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2022-09-27 US disclosed
WO-2022173870-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-08-18 WO disclosed
EP-4021444-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-07-06 EP disclosed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 CN disclosed
WO-2022066646-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-03-31 WO disclosed
WO-2022031678-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-02-10 WO disclosed
WO-2022015375-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-01-20 WO disclosed
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 WO disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-08 US disclosed
EP-3368524-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2018-09-05 EP disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 WO disclosed
EP-2877446-B9 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO DE BIOMEDICINA CIMA S L (ES) 2017-01-25 EP disclosed
EP-2246347-B1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARM CO LTD (CN) 2016-09-28 EP disclosed
EP-2877446-B1 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO BIOMEDICINA CIMA SL (ES) 2016-09-14 EP disclosed
US-9440989-B2 Antifibrinolytic compounds PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2016-09-13 US disclosed
US-9096603-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
WO-2015104343-A1 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2015-07-16 WO disclosed
US-20150175618-A1 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2015-06-25 US disclosed
EP-2877446-A1 NEW ANTIFIBRINOLYTIC COMPOUNDS Proyecto de Biomedicina Cima, S.L. (ES) 2015-06-03 EP disclosed
US-20140073641-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
WO-2014012964-A1 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2014-01-23 WO disclosed
US-8623879-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivates and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 US disclosed
US-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 US disclosed
US-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090286777-A1 5,6,Fused Pyrrolidine Compounds Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-11-19 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
US-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
US-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
EP-1978965-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-10-15 EP disclosed
US-20080187907-A1 Catalytic Production of Biomakers From Biological Materials BRIGHAM YOUNG UNIVERSITY 2008-08-07 US disclosed
US-20080187907-A1 Catalytic Production of Biomakers From Biological Materials BRIGHAM YOUNG UNIVERSITY 2008-08-07 US disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
WO-2007136570-A2 5,6-FUSED PYRROLIDINE COMPOUNDS USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 US disclosed
WO-2007087224-A2 HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-08-02 WO disclosed
US-4800207-A Hexahydropyrrolizine compounds useful as analgesics MCNEILAB, INC. (US) 1989-01-24 US disclosed
US-4581462-A Pyrrolizidine-3-ones THE UPJOHN COMPANY (US) 1986-04-08 US disclosed
US-4581462-A Pyrrolizidine-3-ones THE UPJOHN COMPANY (US) 1986-04-08 US disclosed