SCHEMBL24148773

SCHEMBL24148773

COC(C)(C)COC(=O)[C@H](C)NP(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.39
▸ RIPK1 Q13546 2/20 0.32

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
SCHEMBL25013559 0.90 RIPK1 (0.33) RIPK1
SCHEMBL25012658 0.89 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL23696910 0.89 TMPRSS2 (0.40) TMPRSS2RIPK1
SCHEMBL24149112 0.86 RIPK1 (0.31) RIPK1
SCHEMBL30269859 0.86 TMPRSS2 (0.39) TMPRSS2RIPK1
SCHEMBL25012669 0.86 TMPRSS2 (0.39) TMPRSS2RIPK1
SCHEMBL26206282 0.82 TMPRSS2 (0.45) TMPRSS2RIPK1
SCHEMBL24148770 0.81 TMPRSS2 (0.39) TMPRSS2
SCHEMBL31684216 0.80 TMPRSS2 (0.38) TMPRSS2RIPK1
SCHEMBL31684068 0.80 TMPRSS2 (0.38) TMPRSS2RIPK1

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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