SCHEMBL7991079

SCHEMBL7991079

CS(=O)(=O)NCc1cccc(CNc2nc(=O)cc(-c3ccncc3)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ROCK2 O75116 6/20 0.40
CDC7 O00311 3/20 0.40
GSK3B P49841 2/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
GRK2 P25098 2/20 0.38
RECQL P46063 1/20 0.38
BRD4 O60885 2/20 0.38
XDH P47989 1/20 0.37
PRMT6 Q96LA8 1/20 0.36
ROCK1 Q13464 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
FABP4 P15090 1/20 0.35

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
SCHEMBL7989847 0.84 CDC7 (0.43) ROCK2CDC7GSK3BMAP4K4PIM1
SCHEMBL5380552 0.83 XDH (0.53) ROCK2CDC7GSK3BMAP4K4PIM1
SCHEMBL7993806 0.81 FABP1 (0.45) ROCK2CDC7GSK3BMAP4K4PIM1
SCHEMBL7996305 0.79 CDC7 (0.45) CDC7KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7993164 0.76 ROCK2 (0.42) ROCK2CDC7GSK3BMAP4K4PIM1
SCHEMBL7989732 0.76 GAA (0.52) ROCK2CDC7GSK3BMAP4K4PIM1
SCHEMBL7978376 0.76 ROCK2 (0.41) ROCK2CDC7GSK3BMAP4K4PIM1
SCHEMBL7993013 0.75 ROCK2 (0.41) ROCK2CDC7GSK3BMAP4K4PIM1
SCHEMBL7989807 0.72 CDC7 (0.39) ROCK2CDC7GSK3BROCK1MEN1
SCHEMBL7990975 0.72 HSD17B10 (0.49) ROCK2CDC7CLK4GRK2ROCK1

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-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed