SCHEMBL3676062

SCHEMBL3676062

NC(=O)NCc1cc(NC(=O)c2cccc3onc(N)c23)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.66
AURKA O14965 7/20 0.66
KIT P10721 5/20 0.47
KDR P35968 5/20 0.47
FLT3 P36888 3/20 0.47
MET P08581 1/20 0.46

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
SCHEMBL546419 0.89 AURKB (0.79) AURKBAURKAKITKDRFLT3
SCHEMBL545492 0.89 AURKB (0.75) AURKBAURKAKITKDRFLT3
SCHEMBL545713 0.88 AURKB (0.77) AURKBAURKAKITKDRFLT3
SCHEMBL546920 0.88 AURKB (0.70) AURKBAURKAKITKDRFLT3
SCHEMBL546241 0.87 AURKB (0.76) AURKBAURKAKITKDRFLT3
SCHEMBL546142 0.86 AURKB (0.68) AURKBAURKAKITKDRFLT3
SCHEMBL545774 0.86 AURKB (0.79) AURKBAURKAKITKDRFLT3
SCHEMBL545808 0.85 AURKB (0.72) AURKBAURKAKITKDRFLT3
SCHEMBL545600 0.85 AURKB (0.66) AURKBAURKAKITKDRFLT3
SCHEMBL545612 0.85 AURKB (0.66) AURKBAURKAKITKDRFLT3

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-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed