SCHEMBL5382897

SCHEMBL5382897

CCCc1c(-c2ccncc2)nc(CCCc2ccccc2)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.57
MAPK14 Q16539 2/20 0.47
MAPK13 O15264 1/20 0.47
GCGR P47871 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
DAO P14920 1/20 0.47
HCAR2 Q8TDS4 4/20 0.46
PARP1 P09874 1/20 0.45
KDM4C Q9H3R0 1/20 0.41
PDE10A Q9Y233 2/20 0.41

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
SCHEMBL5380589 0.94 GSK3B (0.56) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5400586 0.92 GSK3B (0.58) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5392069 0.85 GSK3B (0.59) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5382895 0.82 GSK3B (0.56) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5390452 0.79 MAPK13 (0.55) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5380586 0.77 GSK3B (0.55) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5400580 0.76 GSK3B (0.57) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL6932122 0.76 MAPK14 (0.61) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5380275 0.74 POLB (0.56) GSK3BMAPK14MAPK13GCGRMAPK12
SCHEMBL5392064 0.73 GSK3B (0.59) GSK3BMAPK14MAPK13GCGRMAPK12

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