SCHEMBL5728086

SCHEMBL5728086

CC(C)Cc1cnc(/C=C/c2cnc(NC(=O)C(N)Cc3cn(C)cn3)s2)o1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.33
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
CCNE2 O96020 2/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL5725585 1.00 CAPN1 (0.33) CAPN1CCNE1CDK2CCNE2CCNB2
SCHEMBL5725724 0.87 CCNE1 (0.35) CAPN1CCNE1CDK2CCNE2CDK1
SCHEMBL5728145 0.86 CCNE1 (0.32) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL5726079 0.86 CCNE1 (0.32) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL5727425 0.84 CAPN1 (0.33) CAPN1CCNE1CDK2CCNE2CCNB2
SCHEMBL5725975 0.84 CAPN1 (0.33) CAPN1CCNE1CDK2CCNE2CCNB2
SCHEMBL7506760 0.84 CCNE1 (0.32) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL5725337 0.82 CAPN1 (0.36) CAPN1CCNE1CDK2CCNE2
SCHEMBL5727873 0.82 CAPN1 (0.36) CAPN1CCNE1CDK2CCNE2
SCHEMBL5725520 0.73 GSK3B (0.37) CCNE1CDK2CDK1CDK4CCNB1

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