SCHEMBL1892801

SCHEMBL1892801

COc1cccc(Nc2c(C#N)cnc3ccc([N+](=O)[O-])cc23)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.71
ERBB2 P04626 9/20 0.71
PDE4B Q07343 1/20 0.71
MAP2K1 Q02750 4/20 0.60
RAF1 P04049 3/20 0.60
ABCG2 Q9UNQ0 2/20 0.56
STK4 Q13043 1/20 0.56
GAK O14976 2/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL6383152 0.88 EGFR (0.60) EGFRERBB2PDE4BMAP2K1RAF1
SCHEMBL1896653 0.87 EGFR (0.66) EGFRERBB2PDE4BABCG2STK4
SCHEMBL1894980 0.86 EGFR (0.64) EGFRERBB2PDE4BABCG2GAK
SCHEMBL6386241 0.85 EGFR (0.63) EGFRERBB2PDE4BABCG2
SCHEMBL1893918 0.85 EGFR (0.64) EGFRERBB2GAK
SCHEMBL1891075 0.85 EGFR (0.63) EGFRERBB2PDE4BABCG2GAK
SCHEMBL1896697 0.85 EGFR (0.63) EGFRERBB2PDE4BABCG2STK4
SCHEMBL6381959 0.84 EGFR (0.63) EGFRERBB2PDE4BABCG2GAK
SCHEMBL6383741 0.84 EGFR (0.63) EGFRERBB2PDE4BMAP2K1RAF1
SCHEMBL6381712 0.84 EGFR (0.63) EGFRERBB2PDE4BMAP2K1ABCG2

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 27 patents — showing the first 20. 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-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 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