SCHEMBL14102249

SCHEMBL14102249

CC[Si](CC)(CC)O[C@@H](CF)[C@@H](CO)OC(C)n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 6/20 0.38
▸ CDK1 P06493 6/20 0.38
▸ CCNB1 P14635 6/20 0.38
▸ CCNB3 Q8WWL7 6/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ PRMT6 Q96LA8 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33
▸ GGPS1 O95749 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
SCHEMBL14102458 0.78 CCNB2 (0.38) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL20052009 0.76 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL18521958 0.76 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL20857311 0.75 CCNB2 (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL2718523 0.75 CDK1 (0.59) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14102604 0.75 CCNB2 (0.37) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL24722333 0.75 CCNB2 (0.41) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13443481 0.75 TDP1 (0.41) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL20052944 0.74 AHCY (0.43) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL25605574 0.74 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
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — WO disclosed
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