SCHEMBL6381978

SCHEMBL6381978

CCOc1ccc2c(Nc3ccc(Cl)cc3F)c(C#N)cnc2c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.67
EGFR P00533 3/20 0.67
ERBB2 P04626 3/20 0.67
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
STK4 Q13043 1/20 0.50
MAP3K8 P41279 1/20 0.50
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL6380804 0.90 SRC (0.81) SRCEGFRERBB2ABL1BCR
SCHEMBL4964311 0.84 EGFR (0.77) SRCEGFRERBB2ABL1BCR
SCHEMBL6382176 0.83 SRC (0.69) SRCEGFRERBB2ABL1BCR
SCHEMBL5255496 0.82 SRC (0.67) SRCEGFRERBB2ABL1BCR
SCHEMBL27569755 0.82 SRC (0.69) SRCEGFRERBB2ABL1BCR
SCHEMBL6384197 0.82 SRC (0.81) SRCEGFRERBB2ABL1BCR
SCHEMBL1894458 0.81 SRC (1.00) SRCEGFRERBB2ABL1BCR
SCHEMBL6183009 0.79 SRC (0.80) SRCABL1BCR
SCHEMBL1893151 0.79 SRC (0.72) SRCEGFRERBB2ABL1BCR
SCHEMBL6643675 0.78 SRC (0.70) SRCEGFRERBB2ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP claimed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US claimed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 EP claimed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US claimed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 WO claimed
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP disclosed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 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-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 WO disclosed