SCHEMBL5400617

SCHEMBL5400617

CCN(c1ccccc1)c1nc(=O)cc(-c2ccncc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.45
APAF1 O14727 1/20 0.42
CASP3 P42574 1/20 0.42
CASP6 P55212 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4C Q9H3R0 2/20 0.40
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GSK3B P49841 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5386893 0.81 ALOX15 (0.44) CDC7GCGRMAPK14CDK2GSK3B
SCHEMBL5391770 0.81 CDC7 (0.48) CDC7GCGRMAPK14CCNA2CDK2
SCHEMBL5400621 0.80 GSK3B (0.54) CDC7APAF1CASP3CASP6SENP8
SCHEMBL5400026 0.78 GCGR (0.42) CDC7GCGRMAPK14CDK2PIM1
SCHEMBL5391510 0.78 FABP4 (0.53) CDC7KDM4CPIM1GSK3B
SCHEMBL5384156 0.77 CDC7 (0.44) CDC7GCGRMAPK14CDK2GSK3B
SCHEMBL5379882 0.76 MAPT (0.47) CDC7GCGRMAPK14GSK3B
SCHEMBL5387918 0.72 GSK3B (0.41) CDC7GCGRGSK3B
SCHEMBL5399975 0.71 CDC7 (0.48) CDC7GCGRMAPK14CDK2GSK3B
SCHEMBL5381545 0.71 CDC7 (0.59) CDC7KDM4CMAPK14CCNA2CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed