SCHEMBL16710445

SCHEMBL16710445

CC[C@]1(CO)O[C@@H](c2ccc3c(NC(=O)OC(C)(C)C)ncnn23)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ TMPRSS2 O15393 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
SCHEMBL16708538 1.00 NPSR1 (0.31) NPSR1EGLN2TMPRSS2
SCHEMBL16710444 0.96 NPSR1 (0.32) NPSR1EGLN2TMPRSS2
SCHEMBL16710859 0.96 NPSR1 (0.32) NPSR1EGLN2TMPRSS2
SCHEMBL19101733 0.93 NPSR1 (0.30) NPSR1EGLN2
SCHEMBL16708541 0.93 NPSR1 (0.30) NPSR1EGLN2
SCHEMBL23844102 0.91 NPSR1 (0.31) NPSR1
SCHEMBL27436084 0.91 NPSR1 (0.31) NPSR1
SCHEMBL19778894 0.90 CYP3A4 (0.30) —
SCHEMBL26288320 0.89 EGLN2 (0.33) NPSR1EGLN2TMPRSS2
SCHEMBL19101835 0.86 TMPRSS2 (0.35) NPSR1EGLN2TMPRSS2

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-2015069939-A1 PYRROLO [1,2,F] [1,2,4] TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2015-05-14 — — WO disclosed
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