SCHEMBL1744592

SCHEMBL1744592

CC(O)=CC#N

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
SCHEMBL7904054 1.00
SCHEMBL2719219 1.00
SCHEMBL30640898 0.97
SCHEMBL28609974 0.97
SCHEMBL28455796 0.97
SCHEMBL575832 0.74
SCHEMBL18639675 0.72
SCHEMBL10253313 0.69
SCHEMBL12011403 0.69
SCHEMBL82523 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP claimed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP claimed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US claimed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US claimed
EP-0749429-B1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AG (DE) 1999-06-30 EP claimed
US-5814627-A ANTIINFLAMMATORY AGENTS, ASTHMA; RHEUMATIC AND AUTOIMMUNE DISEASES; INHIBITORS OF LEUKOTRIENES, CYTOKINES, E.G. INTERLEUKINS, OXYGEN RADICALS AND PROTEASES HOECHST AKTIENEGESELLSCHAFT (DE) 1998-09-29 US claimed
EP-0749429-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 EP claimed
WO-1995024397-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-14 WO claimed
US-20250391519-A1 CHEMICAL SYNTHESIS PLATFORM UNIV GLASGOW COURT (GB) 2025-12-25 US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 US disclosed
EP-2035419-B1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2499124-B1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER IP GMBH (DE) 2015-08-19 EP disclosed
CN-102639537-B Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER IP GMBH 2015-07-22 CN disclosed
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
EP-0749429-B1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AG (DE) 1999-06-30 EP disclosed
US-5814627-A ANTIINFLAMMATORY AGENTS, ASTHMA; RHEUMATIC AND AUTOIMMUNE DISEASES; INHIBITORS OF LEUKOTRIENES, CYTOKINES, E.G. INTERLEUKINS, OXYGEN RADICALS AND PROTEASES HOECHST AKTIENEGESELLSCHAFT (DE) 1998-09-29 US disclosed
EP-0749429-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 EP disclosed
WO-1996033179-A1 THIOAMIDES DERIVATES AND THEIR USE AS INHIBITORS OF HYPER-PROLIFERATIVE CELL GROWTH SUGEN, INC. (US) 1996-10-24 WO disclosed
WO-1995024397-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-14 WO disclosed
US-4173650-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-11-06 US disclosed