SCHEMBL5381409

SCHEMBL5381409

O=c1nc(-c2ccccc2)[nH]c(-c2ccncc2)c1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 13/20 0.55
MAPK12 P53778 13/20 0.55
MAPK11 Q15759 13/20 0.55
MAPK14 Q16539 13/20 0.55
RAF1 P04049 9/20 0.55
MAPK9 P45984 1/20 0.55
BRAF P15056 4/20 0.52
GCGR P47871 4/20 0.48
ALOX5 P09917 1/20 0.48
GSK3B P49841 3/20 0.48
IDO1 P14902 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
GSK3A P49840 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
BRDT Q58F21 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5382372 0.85 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5388030 0.84 GSK3B (0.50) MAPK13MAPK12MAPK11MAPK14GSK3B
SCHEMBL5390448 0.83 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5380270 0.81 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5381411 0.80 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5380491 0.77 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5390319 0.77 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5383500 0.77 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1501739 0.74 FNTA (0.53) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL10981478 0.73 GSK3B (0.46) MAPK14GSK3BCCNB2CDK1CCNB1

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