SCHEMBL6380353

SCHEMBL6380353

CN(C)c1ccc(Nc2c(C#N)cnc3c([N+](=O)[O-])cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.45
ERBB2 P04626 2/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 11/20 0.42
MAP2K1 Q02750 2/20 0.41
RAF1 P04049 1/20 0.41
LRRK2 Q5S007 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALDH3A1 P30838 1/20 0.39

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
SCHEMBL6384161 0.90 EGFR (0.57) EGFRERBB2KDM1ALRRK2
SCHEMBL6382495 0.82 EGFR (0.47) EGFRERBB2KDM1AMAP2K1RAF1
SCHEMBL6384857 0.82 EGFR (0.52) EGFRERBB2RAB9ALRRK2MAPT
SCHEMBL6387025 0.81 EGFR (0.47) EGFRERBB2LRRK2ALDH3A1
SCHEMBL6386483 0.81 SRC (0.52) EGFRERBB2MEN1KMT2ALRRK2
SCHEMBL6383564 0.81 EGFR (0.47) EGFRERBB2MAP2K1RAF1LRRK2
SCHEMBL6383797 0.81 EGFR (0.53) EGFRERBB2KMT2ALRRK2
SCHEMBL6384817 0.80 EGFR (0.54) EGFRERBB2MEN1KMT2ALRRK2
SCHEMBL6383939 0.80 EGFR (0.57) EGFRERBB2
SCHEMBL6385354 0.80 EGFR (0.50) EGFRERBB2KMT2ALRRK2

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 2 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