SCHEMBL14175372

SCHEMBL14175372

COc1ccc(C(Nc2ncnc3c2ncn3C(C)CCOCP(=O)(O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 5/20 0.42
CDK1 P06493 5/20 0.42
CCNB1 P14635 5/20 0.42
CCNB3 Q8WWL7 5/20 0.42
CDK2 P24941 5/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
FGFR1 P11362 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CCNE2 O96020 3/20 0.33
CCNE1 P24864 3/20 0.33

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
SCHEMBL14175365 0.93 CDK1 (0.43) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175362 0.91 CDK1 (0.41) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175387 0.86 CCNB2 (0.41) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175360 0.85 CDK1 (0.48) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175342 0.83 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175363 0.83 CDK1 (0.44) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175341 0.82 CDK1 (0.40) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175364 0.82 CDK1 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175345 0.82 CDK1 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14175349 0.81 CCNB2 (0.39) 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