SCHEMBL881592

SCHEMBL881592

CCOC(=O)[C@@H](NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@@H](C)[C@@H]1O)Oc1ccccc1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ RIPK1 Q13546 4/20 0.32
▸ POLRMT O00411 1/20 0.31

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
SCHEMBL24119262 1.00 TMPRSS2 (0.36) TMPRSS2CYP3A4CYP2C9RIPK1POLRMT
SCHEMBL17719239 0.95 TMPRSS2 (0.41) TMPRSS2CYP3A4CYP2C9RIPK1POLRMT
SCHEMBL30002783 0.95 TMPRSS2 (0.41) TMPRSS2CYP3A4CYP2C9RIPK1POLRMT
SCHEMBL17761548 0.95 TMPRSS2 (0.41) TMPRSS2CYP3A4CYP2C9RIPK1POLRMT
SCHEMBL23813344 0.93 TMPRSS2 (0.37) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL26002364 0.91 TMPRSS2 (0.38) TMPRSS2CYP3A4CYP2C9RIPK1POLRMT
SCHEMBL881479 0.90 TMPRSS2 (0.36) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL31571361 0.89 TMPRSS2 (0.43) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL22342697 0.89 TMPRSS2 (0.43) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL17712264 0.89 TMPRSS2 (0.43) TMPRSS2CYP3A4CYP2C9RIPK1

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-3150608-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-04-10 — — EP disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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