SCHEMBL6382000

SCHEMBL6382000

COc1cc2ncc(C#N)c(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.76
ERBB2 P04626 11/20 0.76
MAP2K1 Q02750 3/20 0.72
SRC P12931 7/20 0.71
GAK O14976 2/20 0.71

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
SCHEMBL6383085 0.87 EGFR (0.78) EGFRERBB2MAP2K1SRCGAK
SCHEMBL6381704 0.86 EGFR (1.00) EGFRERBB2MAP2K1SRCGAK
SCHEMBL6380692 0.84 EGFR (1.00) EGFRERBB2MAP2K1SRCGAK
SCHEMBL5733290 0.84 MAP2K1 (1.00) EGFRERBB2MAP2K1SRC
SCHEMBL6381535 0.82 EGFR (1.00) EGFRERBB2MAP2K1SRCGAK
SCHEMBL6380121 0.82 EGFR (0.83) EGFRERBB2MAP2K1SRC
SCHEMBL27533129 0.82 EGFR (0.76) EGFRERBB2MAP2K1SRCGAK
SCHEMBL28756490 0.81 MAP2K1 (0.95) EGFRERBB2MAP2K1SRCGAK
SCHEMBL6380423 0.81 EGFR (1.00) EGFRERBB2MAP2K1SRCGAK
SCHEMBL6381853 0.81 EGFR (1.00) EGFRERBB2MAP2K1SRCGAK

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 15 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
JP-2003526686-A 2003-09-09 JP claimed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 EP claimed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US claimed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO 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
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US 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