SCHEMBL20550745

SCHEMBL20550745

CCC(CC)CC(C)(N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ RIPK1 Q13546 2/20 0.30
▸ POLRMT O00411 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
SCHEMBL23673324 1.00 TMPRSS2 (0.40) TMPRSS2RIPK1POLRMT
SCHEMBL18605958 1.00 TMPRSS2 (0.40) TMPRSS2RIPK1POLRMT
SCHEMBL17712322 1.00 TMPRSS2 (0.40) TMPRSS2RIPK1POLRMT
SCHEMBL18640705 1.00 TMPRSS2 (0.40) TMPRSS2RIPK1POLRMT
SCHEMBL20135843 1.00 TMPRSS2 (0.40) TMPRSS2RIPK1POLRMT
SCHEMBL17760463 0.93 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL20135847 0.90 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMT
SCHEMBL20135845 0.90 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMT
SCHEMBL17712321 0.88 TMPRSS2 (0.39) TMPRSS2RIPK1
SCHEMBL23711118 0.87 TMPRSS2 (0.42) TMPRSS2RIPK1POLRMT

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
EP-3618929-A1 CRYSTALLINE FORMS OF (S) 2 ETHYLBUTYL 2 (((S) (((2R,3S,4R,5R) 5 (4 AMINOPYRROLO[2,1-F][1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2 YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE Gilead Sciences, Inc. (US) 2020-03-11 — — EP disclosed
WO-2018204198-A1 CRYSTALLINE FORMS OF (S) 2 ETHYLBUTYL 2 (((S) (((2R,3S,4R,5R) 5 (4 AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2 YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE GILEAD SCIENCES, INC. (US) 2018-11-08 — — WO disclosed
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