SCHEMBL6380813

SCHEMBL6380813

COc1cc2ncc(C#N)c(Nc3ccccc3SC)c2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.76
EGFR P00533 7/20 0.74
ERBB2 P04626 6/20 0.74
MAP2K1 Q02750 5/20 0.68
ABL1 P00519 3/20 0.64
BCR P11274 3/20 0.64
RAF1 P04049 1/20 0.62

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
SCHEMBL6379902 0.86 SRC (0.79) SRCEGFRERBB2MAP2K1ABL1
SCHEMBL6380651 0.84 MAP2K1 (0.74) SRCMAP2K1ABL1BCRRAF1
SCHEMBL27498519 0.83 SRC (0.73) SRCEGFRERBB2MAP2K1ABL1
SCHEMBL28756490 0.82 MAP2K1 (0.95) SRCEGFRERBB2MAP2K1RAF1
SCHEMBL4496968 0.82 MAP2K1 (0.59) SRCEGFRERBB2MAP2K1ABL1
SCHEMBL27434354 0.82 SRC (0.72) SRCEGFRERBB2MAP2K1ABL1
SCHEMBL4457233 0.81 EGFR (0.72) SRCEGFRERBB2MAP2K1ABL1
SCHEMBL6381711 0.81 SRC (0.70) SRCEGFRERBB2MAP2K1ABL1
SCHEMBL6381533 0.81 SRC (0.70) SRCEGFRERBB2MAP2K1
SCHEMBL6382185 0.81 MAP2K1 (1.00) SRCEGFRERBB2MAP2K1RAF1

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 18 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
CN-1429126-A Use of cyanoquinolines for treating or inhibiting colonic polyps AMERICAN CYANAMID CO (US) 2003-07-09 CN 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
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
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