SCHEMBL6380413

SCHEMBL6380413

CN(C)c1ccc(Nc2c(C#N)cnc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.66
RAF1 P04049 4/20 0.66
KDM1A O60341 10/20 0.60
LRRK2 Q5S007 1/20 0.56
EGFR P00533 2/20 0.54
ERBB2 P04626 1/20 0.53

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
SCHEMBL676613 0.85 MAP2K1 (0.78) MAP2K1RAF1KDM1ALRRK2EGFR
SCHEMBL29556194 0.85 MAP2K1 (0.78) MAP2K1RAF1KDM1ALRRK2EGFR
SCHEMBL15191309 0.84 MAP2K1 (0.62) MAP2K1RAF1LRRK2EGFRERBB2
SCHEMBL6382485 0.83 EGFR (0.53) MAP2K1RAF1KDM1AEGFRERBB2
SCHEMBL6691519 0.81 MAP2K1 (0.68) MAP2K1RAF1LRRK2EGFRERBB2
SCHEMBL6382495 0.81 EGFR (0.47) MAP2K1RAF1KDM1AEGFRERBB2
SCHEMBL27707570 0.80 MAP2K1 (1.00) MAP2K1RAF1LRRK2ERBB2
SCHEMBL6380345 0.79 EGFR (0.56) MAP2K1RAF1KDM1AEGFRERBB2
SCHEMBL12156904 0.77 LRRK2 (0.72) MAP2K1RAF1LRRK2EGFRERBB2
SCHEMBL6380353 0.77 EGFR (0.45) MAP2K1RAF1KDM1ALRRK2EGFR

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 10 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 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
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
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 CN disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US disclosed