SCHEMBL10171206

SCHEMBL10171206

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.36
▸ PIK3CD O00329 7/20 0.33
▸ TMPRSS2 O15393 1/20 0.32
▸ RIPK1 Q13546 2/20 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
SCHEMBL882157 0.92 POLRMT (0.45) POLRMT
SCHEMBL881457 0.86 TMPRSS2 (0.34) PIK3CDTMPRSS2RIPK1
SCHEMBL18697844 0.85 POLRMT (0.38) POLRMTTMPRSS2
SCHEMBL10149707 0.85 POLRMT (0.38) POLRMTTMPRSS2
SCHEMBL18697842 0.84 FAP (0.33) —
SCHEMBL10142507 0.82 POLRMT (0.38) POLRMTTMPRSS2
SCHEMBL12454229 0.80 POLRMT (0.38) POLRMTPIK3CDTMPRSS2
SCHEMBL17215149 0.79 PRMT5 (0.35) PIK3CDTMPRSS2RIPK1
SCHEMBL18214657 0.79 POLRMT (0.38) POLRMTPIK3CDTMPRSS2
Gs-441326 SCHEMBL10149536 0.78 POLRMT (0.47) POLRMT

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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