SCHEMBL17215154

SCHEMBL17215154

COC[C@H]1O[C@@](C#N)(c2cnc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ ADK P55263 2/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 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
SCHEMBL19997390 0.90 TMPRSS2 (0.39) TMPRSS2ADORA3
SCHEMBL14681868 0.89 TMPRSS2 (0.38) TMPRSS2
SCHEMBL30363053 0.88 TMPRSS2 (0.49) TMPRSS2ADKADORA3CDK5CDK5R1
SCHEMBL16519861 0.84 TMPRSS2 (0.49) TMPRSS2ADKPRMT5WDR77
SCHEMBL16519895 0.82 PRMT5 (0.34) ADKPRMT5WDR77
SCHEMBL30363078 0.76 TMPRSS2 (0.48) TMPRSS2
SCHEMBL27121074 0.74 TMPRSS2 (0.48) TMPRSS2
SCHEMBL14681870 0.74 TMPRSS2 (0.47) TMPRSS2
SCHEMBL25379160 0.74 TMPRSS2 (0.51) TMPRSS2
SCHEMBL25432619 0.74 TMPRSS2 (0.51) TMPRSS2

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
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 — — EP disclosed
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