SCHEMBL5399995

SCHEMBL5399995

O=c1cc(-c2ccncc2)[nH]c(-c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.54
GCGR P47871 13/20 0.54
MAPK13 O15264 8/20 0.54
MAPK12 P53778 8/20 0.54
MAPK11 Q15759 8/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
FRK P42685 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
GSK3B P49841 1/20 0.54
PTK6 Q13882 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
CDC7 O00311 1/20 0.50
ALOX5 P09917 3/20 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
SCHEMBL5377577 0.91 CDC7 (0.49) MAPK13MAPK12PRKD3CSNK1A1CSNK1D
SCHEMBL5380873 0.85 MAPK14 (0.49) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL7395689 0.85 MAPK14 (0.48) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5384093 0.85 GCGR (0.56) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5381545 0.84 CDC7 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5383543 0.81 PKN1 (0.53) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5380413 0.80 NPC1 (0.56) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5381418 0.78 CYP19A1 (0.54) GSK3BCDC7
SCHEMBL5376057 0.78 KMT2A (0.54) CDC7
SCHEMBL5381446 0.77 GSK3B (0.47) MAPK14GCGRMAPK13MAPK12MAPK11

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