SCHEMBL2801118

SCHEMBL2801118

NC(=O)N1C=CC=CC=N1

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
Water SCHEMBL7805742 0.98
Hydrochloric Acid SCHEMBL29164044 0.98
SCHEMBL8397757 0.80
SCHEMBL11098112 0.79
SCHEMBL1117822 0.79
SCHEMBL7440125 0.77
Water SCHEMBL8221742 0.77
SCHEMBL17823028 0.72
SCHEMBL17823025 0.72
SCHEMBL27457961 0.69 FAAH (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591341-B2 Bicyclic and tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-02-28 US claimed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP claimed
EP-1937221-B1 RETARD FORMULATION FOR PRALNACASAN SANOFI AVENTIS DEUTSCHLAND (DE) 2009-02-11 EP claimed
EP-1937221-A1 RETARD FORMULATION FOR PRALNACASAN Sanofi-Aventis Deutschland GmbH (DE) 2008-07-02 EP claimed
EP-1866313-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-12-19 EP claimed
WO-2007042160-A1 RETARD FORMULATION FOR PRALNACASAN SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 WO claimed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 WO claimed
EP-1246824-A1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF Aventis Pharma S.A. (FR) 2002-10-09 EP claimed
WO-2001047930-A1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-07-05 WO claimed
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed
US-12195459-B2 Glutarimide-containing pan-KRAS-mutant degrader compounds and uses thereof TIGER BIOTHERAPEUTICS INC. (US) 2025-01-14 US disclosed
EP-4472980-A2 QUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2024-12-11 EP disclosed
CN-118660880-A Quinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2024-09-17 CN disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
EP-0790999-A1 OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1997-08-27 EP disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
WO-1996015129-A1 OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-05-23 WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO disclosed