SCHEMBL5380586

SCHEMBL5380586

CCCCc1c(-c2ccncc2)[nH]c(CCCc2ccccc2)nc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.55
GCGR P47871 2/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
PARP1 P09874 1/20 0.43
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HCAR2 Q8TDS4 4/20 0.40
DAO P14920 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 1/20 0.39

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 0.94 GSK3B (0.56) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5400580 0.91 GSK3B (0.57) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5392064 0.86 GSK3B (0.59) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5380589 0.83 GSK3B (0.56) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5380270 0.81 MAPK13 (0.51) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5382897 0.77 GSK3B (0.57) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5400586 0.75 GSK3B (0.58) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5392069 0.74 GSK3B (0.59) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5390448 0.73 MAPK13 (0.54) GSK3BGCGRMAPK13MAPK12MAPK11
SCHEMBL5388030 0.72 GSK3B (0.50) GSK3BMAPK13MAPK12MAPK11MAPK14

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