SCHEMBL7992963

SCHEMBL7992963

O=c1cc(-c2ccncc2)nc(NCc2ccncc2)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.79
CDC7 O00311 3/20 0.79
ROCK2 O75116 2/20 0.79
MAP4K4 O95819 2/20 0.79
PIM1 P11309 2/20 0.79
PRKACA P17612 2/20 0.79
CDK2 P24941 2/20 0.79
HIPK2 Q9H2X6 2/20 0.79
CLK4 Q9HAZ1 2/20 0.79
MKNK2 Q9HBH9 2/20 0.79
IRAK4 Q9NWZ3 2/20 0.79
XDH P47989 2/20 0.72
MAPK1 P28482 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
DBF4 Q9UBU7 2/20 0.55

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
SCHEMBL5380557 0.93 XDH (0.85) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5390251 0.80 GSK3B (0.59) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL10840696 0.79 GSK3B (0.60) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL14514019 0.78 GSK3B (0.59) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5386032 0.77 GSK3B (0.68) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5375274 0.76 XDH (0.55) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5380286 0.75 GSK3B (0.54) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5383599 0.74 ADORA2A (0.62) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL7990637 0.74 GSK3B (0.53) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5377580 0.72 GSK3B (0.87) GSK3BCDC7ROCK2MAP4K4PIM1

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 claimed