SCHEMBL493822

SCHEMBL493822

C1=CC2=C(CCCC2)[N]1

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
SCHEMBL331377 0.67 CDC25B (0.31)
SCHEMBL8699503 0.67
SCHEMBL15053805 0.64
SCHEMBL2507680 0.64
SCHEMBL627902 0.62
SCHEMBL445180 0.62
SCHEMBL2507829 0.60
SCHEMBL451041 0.60
SCHEMBL2501036 0.59
SCHEMBL2506648 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 CN claimed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP claimed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US claimed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO claimed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US claimed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP claimed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO claimed
US-12030867-B2 Hsp90β selective inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-07-09 US disclosed
US-20240173326-A1 COMBINATION THERAPY COMPRISING A MAT2A INHIBITOR AND A TYPE II PRMT INHIBITOR IDEAYA BIOSCIENCES, INC. 2024-05-30 US disclosed
EP-4347569-A1 COMBINATION THERAPY COMPRISING A MAT2A INHIBITOR AND A TYPE II PRMT INHIBITOR Ideaya Biosciences, Inc. (US) 2024-04-10 EP disclosed
US-20240108626-A1 COMBINATION THERAPY COMPRISING A MAT2A INHIBITOR AND A TYPE II PRMT INHIBITOR IDEAYA BIOSCIENCES, INC. 2024-04-04 US disclosed
EP-1163360-A2 COMPOSITION AND DEVICE FOR DETECTING LEUKOCYTES IN URINE Hypoguard America Limited (US) 2001-12-19 EP disclosed
WO-2000043535-A2 COMPOSITION AND DEVICE FOR DETECTING LEUKOCYTES IN URINE HYPOGUARD AMERICA LIMITED (US) 2000-07-27 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed