SCHEMBL5377577

SCHEMBL5377577

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.49
GSK3B P49841 2/20 0.49
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
NPY5R Q15761 1/20 0.46
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
PKN1 Q16512 3/20 0.44
PKN2 Q16513 3/20 0.44
CDK9 P50750 2/20 0.44
IDO1 P14902 1/20 0.44
PLK4 O00444 1/20 0.44
MAPK13 O15264 1/20 0.44
DAPK3 O43293 1/20 0.44

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
SCHEMBL5381545 0.93 CDC7 (0.59) CDC7GSK3BALDH1A1HPGDHSD17B10
SCHEMBL7395689 0.91 MAPK14 (0.48) CDC7GSK3BALDH1A1HPGDHSD17B10
SCHEMBL5399995 0.91 MAPK14 (0.54) CDC7GSK3BMAPK13PRKD3CSNK1A1
SCHEMBL5380873 0.91 MAPK14 (0.49) CDC7GSK3BALDH1A1HPGDHSD17B10
SCHEMBL5384093 0.91 GCGR (0.56) ALDH1A1HPGDMAPK13MAPK1MAPK12
SCHEMBL5383543 0.87 PKN1 (0.53) CDC7GSK3BNPY5RPKN1PKN2
SCHEMBL5376057 0.86 KMT2A (0.54) CDC7ALDH1A1HPGDMAPTNPY5R
SCHEMBL5381418 0.86 CYP19A1 (0.54) CDC7GSK3BALDH1A1HPGDMAPT
SCHEMBL5380413 0.85 NPC1 (0.56) CDC7ALDH1A1MAPTALOX15PKN1
SCHEMBL5381446 0.85 GSK3B (0.47) CDC7GSK3BALDH1A1HPGDHSD17B10

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