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SCHEMBL10171874

SCHEMBL10171874

C[C@@H](COC(=O)C(C)(C)C)NP(=O)(OC[C@H]1O[C@@H](c2cnc3c(N)ncnn23)[C@](C)(F)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ BTN3A1 O00481 3/20 0.31
▸ RNASEL Q05823 2/20 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
SCHEMBL12253995 0.93 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1RNASEL
SCHEMBL12397144 0.93 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1
SCHEMBL10171408 0.89 CYP3A4 (0.46) CYP3A4CYP2C9BTN3A1
SCHEMBL10149599 0.88 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1
SCHEMBL10149619 0.88 CYP3A4 (0.55) CYP3A4CYP2C9BTN3A1
SCHEMBL881392 0.87 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1
SCHEMBL10171411 0.87 CYP3A4 (0.46) CYP3A4CYP2C9BTN3A1
SCHEMBL10171410 0.86 CYP3A4 (0.38) CYP3A4CYP2C9
SCHEMBL13648768 0.86 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1RNASEL
SCHEMBL10148674 0.85 CYP3A4 (0.46) CYP3A4CYP2C9BTN3A1

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-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 — — 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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