SCHEMBL5380875

SCHEMBL5380875

O=c1cc(-c2ccncc2)nc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.75
MAPK14 Q16539 3/20 0.50
MAPK13 O15264 2/20 0.50
RAF1 P04049 2/20 0.50
BRAF P15056 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
CSNK1D P48730 3/20 0.49
MAP4K4 O95819 3/20 0.49
PRKACA P17612 3/20 0.49
CLK4 Q9HAZ1 3/20 0.49
CSNK1E P49674 2/20 0.49
MAPK1 P28482 2/20 0.49
CSNK1A1 P48729 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
RIPK2 O43353 1/20 0.49
BRD4 O60885 1/20 0.49
GMNN O75496 1/20 0.49

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
SCHEMBL5377580 0.92 GSK3B (0.87) GSK3BCSNK1DMAP4K4PRKACACLK4
SCHEMBL7395693 0.86 GSK3B (0.73) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5380569 0.86 GSK3B (0.73) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5384096 0.86 GSK3B (0.73) GSK3BMAPK14MAPK13RAF1MAPK12
SCHEMBL5400000 0.86 GSK3B (0.73) GSK3BMAPK14MAPK13RAF1BRAF
SCHEMBL5381549 0.86 GSK3B (1.00) GSK3BMAPK14MAPK13RAF1MAPK12
SCHEMBL7397401 0.82 GSK3B (0.68) GSK3BBRAFCSNK1DMAP4K4PRKACA
SCHEMBL5383544 0.82 GSK3B (0.68) GSK3BMAPK14MAPK13RAF1MAPK12
SCHEMBL5380418 0.81 GSK3B (0.66) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5381426 0.80 GSK3B (0.78) GSK3BKDM4EALDH1A1MAPTHPGD

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 2 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