SCHEMBL5380873

SCHEMBL5380873

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.49
MAPK13 O15264 3/20 0.49
RAF1 P04049 3/20 0.49
BRAF P15056 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
GSK3B P49841 3/20 0.48
CSNK1D P48730 2/20 0.48
CSNK1E P49674 2/20 0.48
BRDT Q58F21 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CIT O14578 1/20 0.48
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
BRD4 O60885 1/20 0.48

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) MAPK13MAPK12GSK3BCSNK1DALDH1A1
SCHEMBL5399995 0.85 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5384093 0.85 GCGR (0.56) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL7395689 0.85 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5381545 0.84 CDC7 (0.59) MAPK14MAPK13RAF1BRAFMAPK12
SCHEMBL5383543 0.81 PKN1 (0.53) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL5380413 0.80 NPC1 (0.56) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5381418 0.78 CYP19A1 (0.54) GSK3BALDH1A1MAPTHPGDKDM4E
SCHEMBL5376057 0.78 KMT2A (0.54) BRAFALDH1A1MAPTHPGDKDM4E
SCHEMBL5380875 0.77 GSK3B (0.75) MAPK14MAPK13RAF1BRAFMAPK12

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 2 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