SCHEMBL5226811

SCHEMBL5226811

Nc1n[nH]c2c(F)c(-c3ccc(NC(=O)O)cc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.48
KIT P10721 15/20 0.48
FLT3 P36888 14/20 0.48
AURKB Q96GD4 5/20 0.44
AURKA O14965 4/20 0.44
CDK19 Q9BWU1 4/20 0.44
CSF1R P07333 6/20 0.44
LYN P07948 5/20 0.44
FLT1 P17948 5/20 0.44
FLT4 P35916 5/20 0.44
BLK P51451 5/20 0.44
FGFR1 P11362 4/20 0.44
SRC P12931 4/20 0.44
LIMK1 P53667 3/20 0.44
LCK P06239 3/20 0.44
PLK4 O00444 3/20 0.44
ROCK2 O75116 3/20 0.44
RPS6KB1 P23443 3/20 0.44
STK3 Q13188 3/20 0.44
ROCK1 Q13464 3/20 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
SCHEMBL3955233 0.89 KDR (0.58) KDRKITFLT3AURKBAURKA
SCHEMBL3960272 0.83 KDR (0.44) KDRKITFLT3AURKBAURKA
SCHEMBL3960509 0.83 MAP4K4 (0.48) KDRKITFLT3AURKBAURKA
SCHEMBL3959575 0.82 KDR (0.65) KDRKITFLT3AURKBAURKA
Hydrochloric Acid SCHEMBL3957832 0.81 KDR (0.49) KDRKITFLT3AURKBAURKA
SCHEMBL3958638 0.80 MKNK1 (0.44) KDRKITFLT3AURKBCSF1R
Trifluoroacetic Acid SCHEMBL3959583 0.79 PRKD3 (0.48) KDRKITFLT3AURKBCDK19
SCHEMBL3957614 0.79 POLB (0.46) KDRKIT
SCHEMBL3956106 0.79 KDR (0.46) KDRKITFLT3AURKBAURKA
SCHEMBL5471160 0.79 ROCK1 (0.55) KDRKITAURKBCDK19LIMK1

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-1765813-A1 SUBSTITUTED INDAZOLES, COMPOSITIONS CONTAINING SAME, PREPARATION AND USE Aventis Pharma S.A. (FR) 2007-03-28 EP disclosed
WO-2006003276-A1 SUBSTITUTED INDAZOLES, COMPOSITIONS CONTAINING SAME, PREPARATION AND USE AVENTIS PHARMA S.A. (FR) 2006-01-12 WO disclosed