SCHEMBL6380651

SCHEMBL6380651

COc1cc2c(Nc3ccccc3SC)c(C#N)cnc2cc1OCCCN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.74
SRC P12931 11/20 0.74
IGF1R P08069 1/20 0.73
RAF1 P04049 1/20 0.73
MAPK3 P27361 1/20 0.73
MAPK1 P28482 1/20 0.73
FYN P06241 1/20 0.73
ABL1 P00519 2/20 0.73
BCR P11274 2/20 0.73

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
SCHEMBL7066587 0.85 SRC (0.71) MAP2K1SRCRAF1MAPK3MAPK1
SCHEMBL5929825 0.85 CYP3A4 (0.58) MAP2K1SRCIGF1RRAF1MAPK3
SCHEMBL4457381 0.84 MAP2K1 (1.00) MAP2K1IGF1RRAF1MAPK3MAPK1
SCHEMBL5201099 0.84 SRC (1.00) MAP2K1SRCFYNABL1BCR
SCHEMBL6380183 0.84 SRC (0.81) MAP2K1SRCRAF1MAPK3MAPK1
SCHEMBL6380678 0.84 SRC (0.54) MAP2K1SRCIGF1RRAF1MAPK3
SCHEMBL346145 0.84 MAP2K1 (1.00) MAP2K1SRCIGF1RRAF1MAPK3
SCHEMBL6380813 0.84 SRC (0.76) MAP2K1SRCRAF1ABL1BCR
SCHEMBL6381620 0.83 MAP2K1 (0.77) MAP2K1SRCRAF1MAPK3MAPK1
SCHEMBL6379747 0.83 MAP2K1 (0.77) MAP2K1SRCRAF1MAPK3MAPK1

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 17 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
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