SCHEMBL14845681

SCHEMBL14845681

CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)OC[C@H]1O[C@@](C)(c2ccc3c(N)ncnn23)[C@@](O)(C#N)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ POLRMT O00411 1/20 0.31

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
SCHEMBL14845682 0.93 TMPRSS2 (0.33) TMPRSS2
SCHEMBL14845672 0.93 TMPRSS2 (0.34) TMPRSS2RIPK1POLRMT
SCHEMBL14845675 0.91 TMPRSS2 (0.31) TMPRSS2CSNK2A2CSNK2A1
SCHEMBL10142407 0.89 TMPRSS2 (0.34) TMPRSS2POLRMT
SCHEMBL10120830 0.87 TMPRSS2 (0.46) TMPRSS2CSNK2A2CSNK2A1RIPK1POLRMT
SCHEMBL18310024 0.85 TMPRSS2 (0.46) TMPRSS2RIPK1POLRMT
SCHEMBL10154374 0.85 TMPRSS2 (0.33) TMPRSS2CSNK2A2CSNK2A1RIPK1POLRMT
SCHEMBL14845677 0.85 TMPRSS2 (0.30) TMPRSS2
SCHEMBL18666928 0.84 POLRMT (0.34) TMPRSS2CSNK2A2CSNK2A1RIPK1POLRMT
SCHEMBL20762571 0.84 POLRMT (0.34) TMPRSS2CSNK2A2CSNK2A1RIPK1POLRMT

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-8415308-B2 1′-substituted-carba-nucleoside prodrugs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-04-09 — — US disclosed
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