SCHEMBL14175367

SCHEMBL14175367

COc1ccc(C(Nc2ncnc3c2ncn3C(CCOCP(=O)(OC(C)C)OC(C)C)COS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
CDK2 P24941 1/20 0.30

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
SCHEMBL14175346 0.91 CCNB2 (0.37) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175341 0.89 CDK1 (0.40) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175375 0.88 CCNB2 (0.37) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175374 0.87 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175343 0.87 CCNB2 (0.38) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175342 0.86 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175345 0.86 CDK1 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175364 0.86 CDK1 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175349 0.85 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175370 0.85 CCNB2 (0.38) CCNB2CDK1CCNB1CCNB3CDK2

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-7388002-B2 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed