SCHEMBL5726720

SCHEMBL5726720

CN(C)C(=O)c1ccc(NC(=O)Nc2ncc(C=Cc3ncc(C(C)(C)C)o3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.53
CDK7 P50613 6/20 0.53
CDK9 P50750 6/20 0.53
CCNE1 P24864 5/20 0.45
CCNE2 O96020 4/20 0.45
CCNB2 O95067 3/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
RAF1 P04049 2/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5726709 1.00 CDK2 (0.53) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5725346 0.89 CDK2 (0.53) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5725355 0.89 CDK2 (0.53) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5724972 0.88 CDK2 (0.52) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5724979 0.88 CDK2 (0.52) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5726308 0.87 CDK2 (0.50) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5726298 0.87 CDK2 (0.50) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5725385 0.86 CDK2 (0.49) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5725377 0.86 CDK2 (0.49) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5725342 0.84 CDK2 (0.46) CDK2CDK7CDK9CCNE1CCNE2

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
EP-1087951-B9 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP claimed
EP-1087951-B1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2005-02-09 EP claimed