SCHEMBL5377580

SCHEMBL5377580

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

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.87
CDC7 O00311 4/20 0.51
ROCK2 O75116 2/20 0.51
MAP4K4 O95819 2/20 0.51
PIM1 P11309 2/20 0.51
PRKACA P17612 2/20 0.51
CDK2 P24941 2/20 0.51
HIPK2 Q9H2X6 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
IRAK4 Q9NWZ3 2/20 0.51
GAA P10253 2/20 0.51
DBF4 Q9UBU7 2/20 0.51
DYRK3 O43781 1/20 0.51
CDK1 P06493 1/20 0.51
CSF1R P07333 1/20 0.51
MARK3 P27448 1/20 0.51
MAPK1 P28482 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51

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
SCHEMBL5381549 0.93 GSK3B (1.00) GSK3BCDC7GAADBF4L3MBTL1
SCHEMBL5380875 0.92 GSK3B (0.75) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5400000 0.91 GSK3B (0.73) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5384096 0.91 GSK3B (0.73) GSK3BMAPK1ALDH1A1HPGD
SCHEMBL5380569 0.91 GSK3B (0.73) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL7395693 0.91 GSK3B (0.73) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5381426 0.87 GSK3B (0.78) GSK3BCDC7GAADBF4L3MBTL1
SCHEMBL7397401 0.87 GSK3B (0.68) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5383544 0.87 GSK3B (0.68) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5376063 0.86 GSK3B (0.76) GSK3BCDC7DBF4MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed