SCHEMBL7672194

SCHEMBL7672194

COc1c(C)cnc(C#N)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.46
USP8 P40818 2/20 0.33
USP7 Q93009 2/20 0.33
RECQL P46063 1/20 0.33
PDE10A Q9Y233 2/20 0.32
SRC P12931 2/20 0.32
HSP90AA1 P07900 5/20 0.32
TRAP1 Q12931 2/20 0.32
HSP90AB1 P08238 2/20 0.32
SHMT2 P34897 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
HPGD P15428 1/20 0.32
WDR5 P61964 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90B1 P14625 1/20 0.32
BRS3 P32247 1/20 0.31
DDAH1 O94760 1/20 0.31
SARM1 Q6SZW1 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL26260178 0.85 AGXT (0.39) AGXTUSP8USP7RECQLSRC
SCHEMBL8870206 0.81 HSP90AA1 (0.34) AGXTSRCHSP90AA1HSP90AB1HPGD
SCHEMBL22458269 0.81 AGXT (0.37) AGXTUSP8USP7RECQLSRC
SCHEMBL29040376 0.78 HPGD (0.38) RECQLPDE10ASRCHPGDKMT2A
SCHEMBL13480742 0.77 CCR1 (0.38) KDM4EALDH1A1POLB
SCHEMBL24257705 0.74 EGFR (0.32) AGXTUSP8USP7SRCHPGD
SCHEMBL30452378 0.74 EGFR (0.32) AGXTUSP8USP7SRCHPGD
SCHEMBL8555454 0.73 AGXT (0.58) AGXTPDE10AHSP90AA1TRAP1HSP90AB1
SCHEMBL94923 0.73 AGXT (0.53) AGXTPDE10AHSP90AA1TRAP1HSP90AB1
SCHEMBL30202196 0.72 KDM4E (0.32) KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625069-A Process for preparing 2-cyano-3,5-dimethyl-4-methoxypyridine DEVELOPMENT CENTER FOR BIOTECHNOLOGY (CN) 1997-04-29 US claimed
EP-0369208-B1 PROCESS FOR THE PREPARATION OF 3,5-DIMETHYL-4-METHOXY PYRIDINE DERIVATIVES, AND INTERMEDIATE THEREFOR Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-03-17 EP claimed
EP-0369208-A1 Process for the preparation of 3,5-dimethyl-4-methoxy pyridine derivatives, and intermediate therefor Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-05-23 EP claimed
JP-2180868-A None JP disclosed
JP-5039268-A None JP disclosed
US-6437139-B1 OMEPRAZOLE, LANSOPRAZOLE AND PANTOPRAZOLE INTERMEDIATES; FREE RADICAL REACTION WITH ETHYL PYRUVATE TO FUNCTIONALIZE THE 2-POSITION PDI-RESEARCH LABORATORIES, INC. (CA) 2002-08-20 US disclosed
US-6121454-A PREPARING OMEPRAZOLE, LANSOPRAZOLE, OR PANTOPRAZOLE FROM PYRIDINE DERIVATIVES IN FREE RADICAL REACTION PDI-RESEARCH LABORATORIES, INC. (CA) 2000-09-19 US disclosed
WO-1999033807-A2 SYNTHESIS OF PHARMACEUTICALLY USEFUL PYRIDINE DERIVATIVES (INTERMEDIATES) EMPLOYING FREE RADICAL SUBSTITUTION REACTIONS TO FUNCTIONALIZE THE 2-POSITION OF THE PYRIDINE PDI-RESEARCH LABORATORIES, INC. (CA) 1999-07-08 WO disclosed
WO-1998050361-A2 SYNTHESIS OF PHARMACEUTICALLY USEFUL PYRIDINE DERIVATIVES PDI-RESEARCH LABORATORIES, INC. (CA) 1998-11-12 WO disclosed
US-5625069-A Process for preparing 2-cyano-3,5-dimethyl-4-methoxypyridine DEVELOPMENT CENTER FOR BIOTECHNOLOGY (CN) 1997-04-29 US disclosed
US-5625069-A Process for preparing 2-cyano-3,5-dimethyl-4-methoxypyridine DEVELOPMENT CENTER FOR BIOTECHNOLOGY (CN) 1997-04-29 US disclosed
US-5625069-A Process for preparing 2-cyano-3,5-dimethyl-4-methoxypyridine DEVELOPMENT CENTER FOR BIOTECHNOLOGY (CN) 1997-04-29 US disclosed
EP-0369208-B1 PROCESS FOR THE PREPARATION OF 3,5-DIMETHYL-4-METHOXY PYRIDINE DERIVATIVES, AND INTERMEDIATE THEREFOR Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-03-17 EP disclosed
JP-H0539268-A NEW PRODUCTION OF 2-HYDROXYMETHYL-4-METHOXY-3,5-DIMETHYLPYRIDINE TOKYO TANABE CO LTD 1993-02-19 JP disclosed
US-5066810-A 3,5-DIMETHYL-4-METHOXYPYRIDINE DERIVATIVES CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-11-19 US disclosed
US-5066810-A 3,5-DIMETHYL-4-METHOXYPYRIDINE DERIVATIVES CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-11-19 US disclosed
JP-H02180868-A PRODUCTION OF 3,5-DIMETHYL-4-METHOXYPYRIDINE DERIVATIVE AND ITS PRODUCTION AND NOVEL INTERMEDIATE THEREFOR CL PHARMA AG 1990-07-13 JP disclosed
EP-0369208-A1 Process for the preparation of 3,5-dimethyl-4-methoxy pyridine derivatives, and intermediate therefor Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-05-23 EP disclosed
EP-0369208-A1 Process for the preparation of 3,5-dimethyl-4-methoxy pyridine derivatives, and intermediate therefor Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-05-23 EP disclosed