SCHEMBL7989847

SCHEMBL7989847

O=c1cc(-c2ccncc2)[nH]c(NCc2cccc(CNc3ncccn3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.43
ROCK2 O75116 3/20 0.43
PIM1 P11309 2/20 0.43
MAP4K4 O95819 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
XDH P47989 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
RECQL P46063 1/20 0.38
FABP4 P15090 2/20 0.38
DBF4 Q9UBU7 1/20 0.37
PRMT6 Q96LA8 1/20 0.36
PRKCA P17252 1/20 0.36
GRK2 P25098 1/20 0.36
ROCK1 Q13464 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
SCHEMBL7993806 0.89 FABP1 (0.45) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL5380552 0.87 XDH (0.53) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL7991079 0.84 ALOX5 (0.41) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL7996305 0.82 CDC7 (0.45) CDC7
SCHEMBL7993164 0.82 ROCK2 (0.42) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL7978376 0.81 ROCK2 (0.41) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL7993013 0.80 ROCK2 (0.41) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL7989732 0.77 GAA (0.52) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL7992999 0.76 CDC7 (0.40) CDC7ROCK2PIM1MAP4K4PRKACA
SCHEMBL7990740 0.75 ROCK2 (0.40) CDC7ROCK2PIM1MAP4K4PRKACA

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