SCHEMBL19101802

SCHEMBL19101802

CC(=O)Nc1ncnn2c([C@@H]3O[C@](C#N)(CO)[C@H]4OC(C)(C)O[C@@H]34)ccc12

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.38

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
SCHEMBL23803200 0.93 TMPRSS2 (0.38) TMPRSS2
SCHEMBL25386594 0.90 TMPRSS2 (0.34) TMPRSS2
SCHEMBL19101835 0.89 TMPRSS2 (0.35) TMPRSS2
SCHEMBL26823411 0.88 TMPRSS2 (0.35) TMPRSS2
SCHEMBL20943594 0.87 TMPRSS2 (0.33) TMPRSS2
SCHEMBL19101821 0.85 — —
SCHEMBL19101771 0.85 EGLN2 (0.32) —
SCHEMBL25244021 0.84 POLRMT (0.36) —
SCHEMBL19101840 0.84 POLRMT (0.36) —
SCHEMBL25389634 0.82 TMPRSS2 (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
US-9701682-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-07-11 — — US disclosed
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