SCHEMBL1894099

SCHEMBL1894099

N#Cc1cnc2ccc([N+](=O)[O-])cc2c1Nc1ccc(Br)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.56
ERBB2 P04626 15/20 0.56
SRC P12931 2/20 0.45
PDE4B Q07343 1/20 0.45
RAF1 P04049 1/20 0.44
MAP2K1 Q02750 1/20 0.44
GAK O14976 1/20 0.44
MAP3K8 P41279 1/20 0.43

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
SCHEMBL1894487 0.91 EGFR (0.54) EGFRERBB2MAP3K8
SCHEMBL1895470 0.89 EGFR (0.58) EGFRERBB2SRCRAF1MAP2K1
SCHEMBL1893918 0.86 EGFR (0.64) EGFRERBB2GAK
SCHEMBL6383557 0.85 SRC (0.60) EGFRERBB2SRCMAP3K8
SCHEMBL1896543 0.85 EGFR (0.56) EGFRERBB2MAP3K8
SCHEMBL1894980 0.83 EGFR (0.64) EGFRERBB2PDE4BGAKMAP3K8
SCHEMBL1895808 0.82 MAP3K8 (0.62) EGFRERBB2MAP3K8
SCHEMBL1896697 0.82 EGFR (0.63) EGFRERBB2SRCPDE4BMAP3K8
SCHEMBL1896653 0.82 EGFR (0.66) EGFRERBB2PDE4BGAK
SCHEMBL6380345 0.82 EGFR (0.56) EGFRERBB2SRCPDE4BRAF1

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 29 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
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 CN 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
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 CN 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
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 CN 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