SCHEMBL1383263

SCHEMBL1383263

Nc1n[nH]c2cccc(-c3ccc(CC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.69
FLT3 P36888 15/20 0.69
FLT1 P17948 6/20 0.69
FLT4 P35916 6/20 0.69
PLK4 O00444 5/20 0.69
AURKA O14965 5/20 0.69
ROCK2 O75116 5/20 0.69
PRKACA P17612 5/20 0.69
RPS6KB1 P23443 5/20 0.69
MARK3 P27448 5/20 0.69
CSNK1D P48730 5/20 0.69
CDK5 Q00535 5/20 0.69
STK3 Q13188 5/20 0.69
ROCK1 Q13464 5/20 0.69
NTRK2 Q16620 5/20 0.69
MARK2 Q7KZI7 5/20 0.69
AURKB Q96GD4 5/20 0.69
SGK2 Q9HBY8 5/20 0.69
NTRK1 P04629 4/20 0.69
CDK1 P06493 4/20 0.69

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
SCHEMBL421009 0.90 KDR (0.76) KDRFLT3FLT1FLT4PLK4
SCHEMBL420903 0.88 FLT3 (0.79) KDRFLT3FLT1FLT4PLK4
SCHEMBL27842257 0.83 KDR (0.81) KDRFLT3FLT1FLT4PLK4
SCHEMBL419765 0.82 KDR (1.00) KDRFLT3FLT1FLT4PLK4
SCHEMBL29968423 0.82 KDR (0.71) KDRFLT3FLT1FLT4PLK4
SCHEMBL16681039 0.82 KDR (0.71) KDRFLT3FLT1FLT4PLK4
SCHEMBL422239 0.81 KDR (1.00) KDRFLT3FLT1FLT4PLK4
SCHEMBL27636395 0.81 KDR (0.79) KDRFLT3FLT1FLT4PLK4
SCHEMBL421605 0.81 KDR (0.79) KDRFLT3FLT1FLT4PLK4
SCHEMBL27657314 0.81 KDR (0.79) KDRFLT3FLT1FLT4PLK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4810427-B2 2011-11-09 JP claimed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP claimed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO claimed