SCHEMBL3396876

SCHEMBL3396876

COC(C)Oc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c2c(N)n[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.68
FLT3 P36888 15/20 0.68
CSF1R P07333 5/20 0.68
NTRK3 Q16288 3/20 0.68
AURKB Q96GD4 3/20 0.68
PDGFRB P09619 1/20 0.68
PDGFRA P16234 1/20 0.68
CDK8 P49336 1/20 0.68
KIT P10721 15/20 0.67
FLT1 P17948 4/20 0.59
TEK Q02763 1/20 0.59
FLT4 P35916 3/20 0.56
PLK4 O00444 2/20 0.56
AURKA O14965 2/20 0.56
ROCK2 O75116 2/20 0.56
RPS6KA5 O75582 2/20 0.56
RPS6KA4 O75676 2/20 0.56
PRKD3 O94806 2/20 0.56
MAP4K4 O95819 2/20 0.56
FES P07332 2/20 0.56

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
SCHEMBL422630 0.90 KDR (0.81) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL422394 0.86 KDR (0.73) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL423206 0.85 KDR (0.83) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL6013289 0.85 KDR (0.63) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL420430 0.84 KDR (0.81) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL420902 0.82 KDR (0.80) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL423364 0.82 KDR (0.76) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL419683 0.82 KDR (0.83) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL424248 0.82 KDR (0.77) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL422667 0.82 KDR (0.84) KDRFLT3CSF1RNTRK3AURKB

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