SCHEMBL15580717

SCHEMBL15580717

CC(C)OC(=O)[C@@H](C)NP(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 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.32
▸ TMPRSS2 O15393 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
SCHEMBL15580648 0.90 RIPK1 (0.32) RIPK1
SCHEMBL15580666 0.89 RIPK1 (0.30) RIPK1TMPRSS2
SCHEMBL14845667 0.89 TMPRSS2 (0.31) RIPK1TMPRSS2
SCHEMBL10142784 0.89 TMPRSS2 (0.31) RIPK1TMPRSS2
SCHEMBL15580667 0.89 RIPK1 (0.30) RIPK1TMPRSS2
SCHEMBL19650099 0.88 TMPRSS2 (0.31) RIPK1TMPRSS2
SCHEMBL29461488 0.85 TMPRSS2 (0.38) RIPK1TMPRSS2
Gs-6620 SCHEMBL10142654 0.84 CYP3A4 (0.41) RIPK1
Gs-6620 SCHEMBL14845666 0.84 CYP3A4 (0.41) RIPK1
SCHEMBL15580683 0.84 RIPK1 (0.32) 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 1 patent. 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
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