SCHEMBL881457

SCHEMBL881457

C[C@@]1(F)C[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.34
▸ PIK3CD O00329 10/20 0.33
▸ RIPK1 Q13546 1/20 0.31
▸ TNK2 Q07912 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
SCHEMBL10171206 0.86 POLRMT (0.36) TMPRSS2PIK3CDRIPK1
SCHEMBL882157 0.82 POLRMT (0.45) —
SCHEMBL881677 0.82 TMPRSS2 (0.40) TMPRSS2PIK3CD
SCHEMBL881706 0.81 RIPK1 (0.36) RIPK1
SCHEMBL17215149 0.79 PRMT5 (0.35) TMPRSS2PIK3CDRIPK1TNK2
SCHEMBL15682912 0.79 TMPRSS2 (0.41) TMPRSS2PIK3CD
SCHEMBL18697842 0.78 FAP (0.33) —
SCHEMBL10120471 0.78 TMPRSS2 (0.42) TMPRSS2PIK3CD
SCHEMBL12243239 0.78 TMPRSS2 (0.42) TMPRSS2PIK3CD
SCHEMBL17109563 0.78 TMPRSS2 (0.42) TMPRSS2PIK3CD

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-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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