SCHEMBL14175381

SCHEMBL14175381

COc1ccc(C(Nc2ncnc3c2ncn3C(CC=O)COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.42
CCNB2 O95067 6/20 0.42
CCNB1 P14635 6/20 0.42
CCNB3 Q8WWL7 6/20 0.42
CDK2 P24941 5/20 0.36
TYMP P19971 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CDK5 Q00535 3/20 0.33
CDK5R1 Q15078 3/20 0.33
HPGD P15428 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 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
SCHEMBL14175344 0.87 CDK1 (0.42) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL14175383 0.87 CDK1 (0.44) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL14175354 0.85 CDK1 (0.43) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL14175338 0.84 CCNB2 (0.38) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL14175352 0.82 CCNB2 (0.42) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL14175343 0.81 CCNB2 (0.38) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL14175353 0.80 CCNB2 (0.39) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL14175378 0.80 CCNB2 (0.46) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL6055218 0.80 CDK1 (0.39) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL9583072 0.79 CCNB2 (0.42) CDK1CCNB2CCNB1CCNB3CDK2

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