SCHEMBL6380588

SCHEMBL6380588

CCN(CC)CC#CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.54
CHRM2 P08172 4/20 0.54
CHRM4 P08173 4/20 0.54
CHRM5 P08912 4/20 0.54
CHRM3 P20309 4/20 0.54
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
NPY2R P49146 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
AGTR1 P30556 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6384150 0.84 KDM4E (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1895672 0.80
Hydrochloric Acid SCHEMBL30077764 0.78 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2945561 0.75 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL10469942 0.74 ALDH1A1 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9222486 0.73 CHRM2 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9030861 0.73 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9779410 0.73 CHRM1 (0.55) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1892248 0.73 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4EPMP22
SCHEMBL10257125 0.73 CHRM2 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000039-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS WYETH CORP (US) 2004-06-09 EP claimed
US-6251912-B1 Substituted quinazoline derivatives AMERICAN CYANAMID COMPANY 2001-06-26 US claimed
EP-1000039-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS American Cyanamid Company (US) 2000-05-17 EP claimed
WO-1999009016-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-02-25 WO claimed
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP disclosed
CN-1190197-C Application of cyanoquinoline in preparing medicine for treating or inhibiting colonic polyp HEWLETT HOLDINGS CORP (US) 2005-02-23 CN disclosed
EP-1000039-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS WYETH CORP (US) 2004-06-09 EP disclosed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP disclosed
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 CN disclosed
CN-1429126-A Use of cyanoquinolines for treating or inhibiting colonic polyps AMERICAN CYANAMID CO (US) 2003-07-09 CN disclosed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 EP disclosed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed
US-6251912-B1 Substituted quinazoline derivatives AMERICAN CYANAMID COMPANY 2001-06-26 US disclosed
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 CN disclosed
EP-1000039-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS American Cyanamid Company (US) 2000-05-17 EP disclosed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 EP disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US disclosed
WO-1999009016-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-02-25 WO disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 WO disclosed