SCHEMBL5388030

SCHEMBL5388030

Cc1nc(=O)c(Cc2ccccc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.50
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
GSK3A P49840 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
BUB1 O43683 1/20 0.41
PLA2G7 Q13093 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL5381409 0.84 MAPK13 (0.55) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5388031 0.80 CYP1A2 (0.59) GSK3BKDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL14942695 0.78 ALKBH3 (0.45) KDM4ESMN1; SMN2HPGDALDH1A1MAPK1
SCHEMBL10981478 0.73 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5380586 0.72 GSK3B (0.55) GSK3BSMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL5382372 0.71 MAPK13 (0.56) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL5400580 0.71 GSK3B (0.57) GSK3BPLA2G7MAPK13MAPK12MAPK11
SCHEMBL1387860 0.70 KDM4E (0.83) KDM4ESMN1; SMN2HPGDALDH1A1MAPK13
SCHEMBL5382895 0.70 GSK3B (0.56) GSK3BPLA2G7MAPK13MAPK12MAPK11
SCHEMBL5380270 0.70 MAPK13 (0.51) 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 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