SCHEMBL24149348

SCHEMBL24149348

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

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42

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
SCHEMBL24339568 0.80 TMPRSS2 (0.38) TMPRSS2
SCHEMBL23959855 0.79 TMPRSS2 (0.49) TMPRSS2
SCHEMBL17719373 0.79 TMPRSS2 (0.41) TMPRSS2
SCHEMBL20144201 0.79 TMPRSS2 (0.41) TMPRSS2
SCHEMBL29813386 0.79 TMPRSS2 (0.41) TMPRSS2
SCHEMBL17712314 0.79 TMPRSS2 (0.41) TMPRSS2
SCHEMBL19223095 0.79 TMPRSS2 (0.46) TMPRSS2
SCHEMBL17719248 0.79 TMPRSS2 (0.41) TMPRSS2
SCHEMBL19504314 0.78 TMPRSS2 (0.38) TMPRSS2
SCHEMBL18636656 0.78 TMPRSS2 (0.44) 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
WO-2021262826-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
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