SCHEMBL2260970

SCHEMBL2260970

C1=NCCCNC1

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
SCHEMBL1782169 1.00
SCHEMBL7616222 0.95 CXCR4 (0.38)
SCHEMBL1781244 0.93 CXCR4 (0.43)
SCHEMBL16100819 0.92
SCHEMBL16100820 0.92
SCHEMBL16583914 0.90
SCHEMBL1782493 0.82
SCHEMBL148995 0.82
SCHEMBL28979785 0.80
SCHEMBL12095338 0.78 HIF1A (0.33)

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 95 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181205-B Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-06-11 CN claimed
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 EP claimed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 US claimed
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN claimed
CN-105611930-B Spiro quinoxaline derivatives as non-apoptotic regulated cell death inhibitors 亥姆霍兹慕尼黑中心-德国环境与健康研究中心(股份有限公司) 2021-03-02 CN claimed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US claimed
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 US claimed
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-12-20 US claimed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 US claimed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 US claimed
EP-3217982-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-09-20 EP claimed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 US claimed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 WO claimed
JP-2007501805-A 2007-02-01 JP claimed
EP-1651638-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
US-20050049241-A1 Pyridyl piperazinyl ureas JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US claimed
WO-2005014580-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 WO claimed
US-6414157-B1 COMPOUNDS HAVING HIGH AFFINITY FOR 5-HT1B AND 5-HT1C SEROTONIN RECEPTOR; ANTIDEPRESSANTS ABBOTT LABORATORIES 2002-07-02 US claimed
EP-1025100-B1 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES, METHOD FOR PRODUCING THE SAME, AND THEIR USE BASF AG (DE) 2002-01-23 EP claimed
CN-111447939-B Method for preparing conjugate 四川科伦博泰生物医药股份有限公司 2024-07-12 CN disclosed
CN-114478519-B Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
CN-114181205-B Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
US-20230391766-A1 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXY-N-(BENZYL)PYRROLIDIN E-2-CARBOXAMIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA AND CANCER GENENTECH, INC. (US) 2023-12-07 US disclosed
WO-2023220237-A1 BENZOTHIAZOLE COMPOUNDS AS VHL LIGANDS GENENTECH, INC. (US) 2023-11-16 WO disclosed
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
EP-4244218-A1 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXY-N-(BENZYL)PYRROLIDIN E-2-CARBOXAMIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA AND CANCER Genentech, Inc. (US) 2023-09-20 EP disclosed
EP-4244219-A1 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXYPYRROLIDINE-2-CARBOXA MIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA Genentech, Inc. (US) 2023-09-20 EP disclosed
US-20230271944-A1 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXYPYRROLIDINE-2-CARBOXA|MIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA GENENTECH, INC. (US) 2023-08-31 US disclosed
EP-4198030-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF Shanghaitech University (CN) 2023-06-21 EP disclosed
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 EP disclosed
CN-110090308-B Method for preparing conjugate 四川科伦博泰生物医药股份有限公司 2023-03-24 CN disclosed
WO-2022104345-A1 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXYPYRROLIDINE-2-CARBOXA|MIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA GENENTECH, INC. (US) 2022-05-19 WO disclosed
WO-2022103411-A1 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXY-N-(BENZYL)PYRROLIDIN E-2-CARBOXAMIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA AND CANCER GENENTECH, INC. (US) 2022-05-19 WO disclosed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 US disclosed
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN disclosed
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2022-02-08 US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 US disclosed
EP-3700901-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2020-09-02 EP disclosed
CN-111447939-A Method for preparing conjugate 四川科伦博泰生物医药股份有限公司 2020-07-24 CN disclosed
EP-3191483-B1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) 2020-06-10 EP disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US disclosed
WO-2019183523-A1 HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL) GENENTECH, INC. (US) 2019-09-26 WO disclosed
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 US disclosed
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-12-20 US disclosed
US-9951010-B2 Compounds as CRTH2 antagonist and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-04-24 US disclosed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 US disclosed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 US disclosed
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-21 US disclosed
EP-3217982-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-09-20 EP disclosed
EP-3191483-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-07-19 EP disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 US disclosed
EP-3021847-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-25 EP disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 WO disclosed
WO-2016037591-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-17 WO disclosed
US-9238662-B2 Silicone compound having a radical-polymerizable group and a method for the preparation thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-19 US disclosed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
EP-2853554-B1 SILICONE COMPOUND HAVING A RADICAL-POLYMERIZABLE GROUP AND A METHOD FOR THE PREPARATION THEREOF SHINETSU CHEMICAL CO (JP) 2015-12-23 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2853554-A1 SILICONE COMPOUND HAVING A RADICAL-POLYMERIZABLE GROUP AND A METHOD FOR THE PREPARATION THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 2015-04-01 EP disclosed
US-20150087853-A1 SILICONE COMPOUND HAVING A RADICAL-POLYMERIZABLE GROUP AND A METHOD FOR THE PREPARATION THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-03-26 US disclosed
WO-2015007730-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2015-01-22 WO disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
EP-2762161-A1 E75-vaccine composition for mucosal administration NITTO DENKO CORPORATION (JP) 2014-08-06 EP disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8507477-B2 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2013-08-13 US disclosed
US-8507477-B2 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2013-08-13 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
EP-2402332-A2 Fungicidal heterocyclic compounds E.I. Du Pont De Nemours And Company (US) 2012-01-04 EP disclosed
US-20110306604-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110306604-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed
WO-2010021919-A1 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 US disclosed
WO-2008057300-A9 TRPVI ANTAGONISTS AND USES THEREOF REDPOINT BIO CORP (US) 2008-07-24 WO disclosed
US-20080153845-A1 TRPV1 ANTAGONISTS AND USES THEREOF REDPOINT BIO CORPORATION (US) 2008-06-26 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
WO-2008057300-A2 TRPVI ANTAGONISTS AND USES THEREOF REDPOINT BIO CORPORATION (US) 2008-05-15 WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO disclosed
EP-1651638-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 US disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 US disclosed
US-20050049241-A1 Pyridyl piperazinyl ureas JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US disclosed
WO-2005014580-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 WO disclosed
US-5958952-A CONTROLLING AGGREGATION OF CELLS; ANTITUMOR AGENT DR. KARL THOMAE GMBH (DE) 1999-09-28 US disclosed
US-5958952-A CONTROLLING AGGREGATION OF CELLS; ANTITUMOR AGENT DR. KARL THOMAE GMBH (DE) 1999-09-28 US disclosed