SCHEMBL1659200

SCHEMBL1659200

COc1ccc(Br)cc1NC(=O)Nc1ccc(-c2cccc3[nH]nc(N)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.71
FLT3 P36888 18/20 0.71
KIT P10721 17/20 0.71
FLT4 P35916 8/20 0.64
FLT1 P17948 7/20 0.64
CSF1R P07333 7/20 0.64
MET P08581 6/20 0.64
FGFR1 P11362 5/20 0.64
PLK4 O00444 5/20 0.64
AURKA O14965 5/20 0.64
ROCK2 O75116 5/20 0.64
PRKACA P17612 5/20 0.64
RPS6KB1 P23443 5/20 0.64
CSNK1D P48730 5/20 0.64
STK3 Q13188 5/20 0.64
ROCK1 Q13464 5/20 0.64
MARK2 Q7KZI7 5/20 0.64
AURKB Q96GD4 5/20 0.64
IRAK4 Q9NWZ3 5/20 0.64
LCK P06239 5/20 0.64

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
SCHEMBL1661033 0.89 KDR (0.71) KDRFLT3KITFLT4FLT1
SCHEMBL1660323 0.89 KDR (0.68) KDRFLT3KITFLT4FLT1
SCHEMBL1659063 0.86 KDR (0.79) KDRFLT3KITFLT4FLT1
SCHEMBL1660289 0.86 KDR (0.75) KDRFLT3KITFLT4FLT1
SCHEMBL421654 0.84 KDR (0.77) KDRFLT3KITFLT4FLT1
SCHEMBL424841 0.83 KDR (1.00) KDRFLT3KITFLT4FLT1
SCHEMBL419770 0.82 KDR (0.74) KDRFLT3KITFLT4FLT1
SCHEMBL422393 0.81 KDR (0.81) KDRFLT3KITFLT4FLT1
SCHEMBL423713 0.79 KDR (0.78) KDRFLT3KITFLT4FLT1
SCHEMBL421644 0.79 KDR (1.00) KDRFLT3KITFLT4FLT1

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
WO-2011046991-A2 CERTAIN SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT, INC. (US) 2011-04-21 WO disclosed