SCHEMBL10154198

SCHEMBL10154198

CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)OC[C@@H]1C[C@@H](O)[C@](C#N)(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ POLRMT O00411 1/20 0.31
▸ FBP1 P09467 1/20 0.31
▸ RIPK1 Q13546 5/20 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
SCHEMBL10120830 0.88 TMPRSS2 (0.46) TMPRSS2CSNK2A2CSNK2A1POLRMTRIPK1
SCHEMBL18310024 0.86 TMPRSS2 (0.46) TMPRSS2POLRMTRIPK1
SCHEMBL24119259 0.86 TMPRSS2 (0.39) TMPRSS2CSNK2A2CSNK2A1POLRMTRIPK1
SCHEMBL20144212 0.85 TMPRSS2 (0.37) TMPRSS2POLRMTRIPK1
SCHEMBL10154374 0.85 TMPRSS2 (0.33) TMPRSS2CSNK2A2CSNK2A1POLRMTRIPK1
SCHEMBL20078711 0.84 TMPRSS2 (0.33) TMPRSS2CSNK2A2CSNK2A1RIPK1
SCHEMBL21283650 0.84 CYP3A4 (0.33) TMPRSS2RIPK1
SCHEMBL24789693 0.84 POLRMT (0.38) TMPRSS2CSNK2A2CSNK2A1POLRMT
SCHEMBL24606306 0.83 TMPRSS2 (0.41) TMPRSS2CSNK2A2CSNK2A1POLRMTRIPK1
SCHEMBL10154106 0.83 CYP3A4 (0.34) TMPRSS2RIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049060-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-03-23 — — WO disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 — — WO disclosed
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