SCHEMBL358405

SCHEMBL358405

[CH2]C1CNCCS1

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
SCHEMBL9112837 0.71
SCHEMBL29085808 0.69
SCHEMBL1098470 0.67
SCHEMBL1868283 0.67
SCHEMBL5357128 0.67
SCHEMBL1052073 0.67
SCHEMBL1318768 0.67
SCHEMBL17174420 0.67
SCHEMBL1099053 0.67
SCHEMBL1052070 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718332-B 2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof 北京赛特明强医药科技有限公司 2021-08-17 CN claimed
CN-111718332-A 2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof 北京赛特明强医药科技有限公司 2020-09-29 CN claimed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US claimed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP claimed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US claimed
EP-2976338-B1 N-(2-CYANO HETEROCYCLYL)PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP claimed
CN-105189498-B Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors 默沙东公司 2017-06-27 CN claimed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US claimed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US claimed
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US claimed
JP-2007506716-A 2007-03-22 JP claimed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP claimed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 US claimed
EP-1670786-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-21 EP claimed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO claimed
US-6960609-B2 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER, INC. (US) 2005-11-01 US claimed
WO-2005030757-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-07 WO claimed
US-20030069241-A1 1-Diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER INC. 2003-04-10 US claimed
EP-1279666-A1 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2003-01-29 EP claimed
WO-1992022545-A1 NEW COUMARIN DERIVATIVES FIDIA S.P.A. (IT) 1992-12-23 WO claimed