SCHEMBL4556652

SCHEMBL4556652

NC(=O)c1c(C[CH]C(=O)NCc2ccc([AsH2])nc2)ccc(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
ROS1 P08922 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
FLT1 P17948 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 1/20 0.31
EPHA2 P29317 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL3153398 0.88 EPHX2 (0.39) CDC7PLK4DYRK3JAK2ROCK2
SCHEMBL4556459 0.83 NPSR1 (0.33) RECQLUSP2
SCHEMBL4564569 0.82 JAK3 (0.39) JAK2RPS6KB1AURKBCYP2C9PLAU
SCHEMBL3149479 0.80 EPHX2 (0.39) DYRK1A
SCHEMBL3144720 0.76 HDAC1 (0.39) DYRK1AGAAKMT2ACYP2C19USP2
SCHEMBL3153349 0.72 NAMPT (0.40) USP2
SCHEMBL3144560 0.71 NAMPT (0.40) RECQLUSP2ALDH1A1PLAU
SCHEMBL3149495 0.69 NAMPT (0.40) RPS6KB1USP2
SCHEMBL3144699 0.69 NAMPT (0.39) RPS6KB1
SCHEMBL3139295 0.69 EPHX2 (0.46) JAK2GAACYP2C9CYP2C19ALDH1A1

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-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed