SCHEMBL1707582

SCHEMBL1707582

CCCC1CNC1

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
SCHEMBL4859080 0.88 GBA1 (0.32)
SCHEMBL9831616 0.88 KCNH2 (0.34)
SCHEMBL10642680 0.82
SCHEMBL14139356 0.82
SCHEMBL20344863 0.81
SCHEMBL7569033 0.80
SCHEMBL27261233 0.80
SCHEMBL27263363 0.80
SCHEMBL21011949 0.78 ALDH1A1 (0.44)
SCHEMBL764554 0.78

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
WO-2024010772-A1 NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-01-11 WO disclosed
CN-116848091-A Inhibitors of ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP 1) and uses thereof 1CBIO公司 2023-10-03 CN disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
WO-2023066292-A1 TRICYCLIC BORONIC ACID DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2023-04-27 WO disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
EP-3888657-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2021-10-06 EP disclosed
US-20130296292-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-07 US disclosed
US-20130296293-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-07 US disclosed
WO-2013149121-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS CUBIST PHARMACEUTICALS, INC. (US) 2013-10-03 WO disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
EP-2482236-A1 RFID TAG, TAG READER/WRITER, DATA MANAGEMENT SYSTEM AND DATA MANAGEMENT METHOD Terrara Code Research Institute, Inc. (JP) 2012-08-01 EP disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
WO-2006072353-A1 AZETIDINE-SUBSTITUTED PYRAZOLINES AS PAR-1 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2006-07-13 WO disclosed