SCHEMBL30491102

SCHEMBL30491102

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

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 3/20 0.35
▸ TMPRSS2 O15393 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ RIPK1 Q13546 3/20 0.33

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
SCHEMBL24149430 0.96 CYP3A4 (0.34) BTN3A1TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL30269863 0.94 BTN3A1 (0.37) BTN3A1TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL24149475 0.93 BTN3A1 (0.33) BTN3A1TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL25014011 0.93 CYP3A4 (0.33) TMPRSS2CYP3A4CYP2C9
SCHEMBL25014009 0.93 CYP3A4 (0.33) TMPRSS2CYP3A4CYP2C9
SCHEMBL24149439 0.93 TMPRSS2 (0.35) BTN3A1TMPRSS2
SCHEMBL24149810 0.92 CYP3A4 (0.33) TMPRSS2CYP3A4CYP2C9
SCHEMBL25013959 0.92 CYP3A4 (0.33) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL24149835 0.92 CYP3A4 (0.33) TMPRSS2CYP3A4CYP2C9
SCHEMBL24149150 0.92 CYP3A4 (0.33) TMPRSS2CYP3A4CYP2C9

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
EP-4172160-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-05-03 — — EP disclosed
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