SCHEMBL7992999

SCHEMBL7992999

NCCOc1ccc(CNc2nc(=O)cc(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 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
GSK3B P49841 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
FABP4 P15090 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.36

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
SCHEMBL7990740 0.95 ROCK2 (0.40) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL7993164 0.89 ROCK2 (0.42) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL7978376 0.84 ROCK2 (0.41) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL7993013 0.83 ROCK2 (0.41) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL5380552 0.81 XDH (0.53) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL7989732 0.76 GAA (0.52) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL7989847 0.76 CDC7 (0.43) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL7993806 0.72 FABP1 (0.45) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL7993027 0.72 CA1 (0.40) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL10840691 0.71 CDC7 (0.44) CDC7ROCK2PRKACACDK2GSK3B

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