SCHEMBL14845667

SCHEMBL14845667

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.31
▸ RIPK1 Q13546 3/20 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
SCHEMBL10142784 1.00 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL10142785 0.95 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL19650099 0.94 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL10142368 0.93 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL10142355 0.91 — —
SCHEMBL10142778 0.91 TMPRSS2 (0.34) TMPRSS2
SCHEMBL10142790 0.91 TMPRSS2 (0.30) TMPRSS2
Gs-6620 SCHEMBL14845666 0.90 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL18293556 0.90 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL10142646 0.90 CYP3A4 (0.41) RIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576534-B1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2014-03-19 — — EP disclosed
US-8415308-B2 1′-substituted-carba-nucleoside prodrugs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-04-09 — — US disclosed
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