SCHEMBL5400580

SCHEMBL5400580

CCc1c(-c2ccncc2)[nH]c(CCCc2ccccc2)nc1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.57
GCGR P47871 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
DAO P14920 1/20 0.41
HCAR2 Q8TDS4 4/20 0.41
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PLA2G7 Q13093 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL5382895 0.92 GSK3B (0.56) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5380586 0.91 GSK3B (0.55) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5392064 0.85 GSK3B (0.59) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5400586 0.82 GSK3B (0.58) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5382372 0.77 MAPK13 (0.56) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5382897 0.76 GSK3B (0.57) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5380589 0.75 GSK3B (0.56) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5392069 0.73 GSK3B (0.59) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5387928 0.73 GSK3B (0.65) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5387930 0.73 GSK3B (1.00) GSK3B

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
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed