SCHEMBL3422295

SCHEMBL3422295

CCc1ccccc1NC(=O)Nc1ccc(-c2ccc(O)c3[nH]nc(N)c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.58
KIT P10721 18/20 0.58
FLT3 P36888 18/20 0.58
AURKA O14965 6/20 0.54
AURKB Q96GD4 6/20 0.54
PLK4 O00444 5/20 0.54
ROCK2 O75116 5/20 0.54
CSF1R P07333 5/20 0.54
FGFR1 P11362 5/20 0.54
FLT1 P17948 5/20 0.54
RPS6KB1 P23443 5/20 0.54
FLT4 P35916 5/20 0.54
STK3 Q13188 5/20 0.54
ROCK1 Q13464 5/20 0.54
NTRK2 Q16620 5/20 0.54
MARK2 Q7KZI7 5/20 0.54
LYN P07948 4/20 0.54
MARK3 P27448 4/20 0.54
LIMK1 P53667 4/20 0.54
SGK2 Q9HBY8 4/20 0.54

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
SCHEMBL421915 0.86 KIT (0.71) KDRKITFLT3AURKAAURKB
SCHEMBL420875 0.83 KDR (0.77) KDRKITFLT3AURKAAURKB
SCHEMBL425738 0.79 AURKB (0.76) KDRKITFLT3AURKAAURKB
SCHEMBL423070 0.78 KDR (0.76) KDRKITFLT3AURKAAURKB
SCHEMBL423321 0.78 KDR (0.80) KDRKITFLT3AURKAAURKB
SCHEMBL423364 0.78 KDR (0.76) KDRKITFLT3AURKAAURKB
SCHEMBL425755 0.78 KDR (0.77) KDRKITFLT3AURKAAURKB
SCHEMBL423368 0.76 KDR (0.77) KDRKITFLT3AURKAAURKB
SCHEMBL419045 0.76 KDR (0.76) KDRKITFLT3AURKAAURKB
SCHEMBL422816 0.75 KDR (0.79) KDRKITFLT3AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 EP disclosed