SCHEMBL6380345

SCHEMBL6380345

CN(C)c1ccc(Nc2c(C#N)cnc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
ERBB2 P04626 7/20 0.56
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
MAP2K1 Q02750 6/20 0.48
RAF1 P04049 1/20 0.48
SRC P12931 3/20 0.45
KDM1A O60341 1/20 0.45
PDE4B Q07343 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL6383741 0.89 EGFR (0.63) EGFRERBB2MAP2K1RAF1PDE4B
SCHEMBL1895470 0.86 EGFR (0.58) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL1896543 0.82 EGFR (0.56) EGFRERBB2
SCHEMBL1894099 0.82 EGFR (0.56) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL6383557 0.82 SRC (0.60) EGFRERBB2SRC
SCHEMBL15320008 0.82 MAP2K1 (0.70) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL6382485 0.81 EGFR (0.53) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL1896653 0.81 EGFR (0.66) EGFRERBB2RAB9APDE4BABCG2
SCHEMBL1894980 0.80 EGFR (0.64) EGFRERBB2PDE4BABCG2
SCHEMBL1894487 0.80 EGFR (0.54) EGFRERBB2

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 22 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
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
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 CN claimed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US claimed
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP disclosed
CN-1190197-C Application of cyanoquinoline in preparing medicine for treating or inhibiting colonic polyp HEWLETT HOLDINGS CORP (US) 2005-02-23 CN disclosed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP disclosed
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 CN disclosed
CN-1429126-A Use of cyanoquinolines for treating or inhibiting colonic polyps AMERICAN CYANAMID CO (US) 2003-07-09 CN disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 CN 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