SCHEMBL18214669

SCHEMBL18214669

C[C@@]1(F)[C@H](O)[C@@H](CO[PH](=O)OCc2ccccc2)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.32
▸ TMPRSS2 O15393 1/20 0.31
▸ HSPA5 P11021 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL15580646 0.83 PRMT5 (0.34) TNK2TMPRSS2
SCHEMBL10149707 0.81 POLRMT (0.38) TMPRSS2
SCHEMBL18697844 0.81 POLRMT (0.38) TMPRSS2
SCHEMBL881677 0.80 TMPRSS2 (0.40) TMPRSS2
SCHEMBL18214649 0.78 MAPT (0.33) —
SCHEMBL14996130 0.77 DCPS (0.36) —
SCHEMBL18697878 0.77 POLRMT (0.30) —
SCHEMBL10184151 0.77 DCPS (0.36) —
Gs-441326 SCHEMBL10149536 0.77 POLRMT (0.47) —
SCHEMBL10149552 0.77 CYP3A4 (0.33) 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
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 — — EP disclosed
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