SCHEMBL14102458

SCHEMBL14102458

C[C@H](OC(=O)c1ccccc1)[C@@H](CO)OC(CF)n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 18)

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 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ AHCY P23526 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
SCHEMBL20052009 0.80 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL20052010 0.79 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL20052944 0.78 AHCY (0.43) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL14102249 0.78 CCNB2 (0.38) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13443481 0.77 TDP1 (0.41) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL17552180 0.77 AHCY (0.39) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13443484 0.76 L3MBTL1 (0.41) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13896532 0.76 AHCY (0.40) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL18521958 0.76 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13896531 0.76 CCNB2 (0.37) 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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