SCHEMBL14175366

SCHEMBL14175366

C=C(CCOCP(=O)(OC(C)C)OC(C)C)n1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CDK5 Q00535 5/20 0.32
CDK5R1 Q15078 5/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
CDK2 P24941 3/20 0.30
CCNE2 O96020 2/20 0.30
CCNE1 P24864 2/20 0.30
HPGD P15428 1/20 0.30
RET P07949 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
SCHEMBL14175362 0.85 CDK1 (0.41) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175342 0.84 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175341 0.83 CDK1 (0.40) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175364 0.82 CDK1 (0.39) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175345 0.82 CDK1 (0.39) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175374 0.82 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175382 0.81 CDK1 (0.41) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175349 0.81 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175369 0.81 CDK1 (0.40) CCNB2CDK1CCNB1CCNB3HDAC1
SCHEMBL14175343 0.80 CCNB2 (0.38) CCNB2CDK1CCNB1CCNB3HDAC1

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