SCHEMBL10171209

SCHEMBL10171209

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ POLRMT O00411 1/20 0.36
▸ BTN3A1 O00481 6/20 0.35

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
SCHEMBL881567 1.00 CYP3A4 (0.41) CYP3A4CYP2C9POLRMTBTN3A1
SCHEMBL21283660 0.94 CYP3A4 (0.42) CYP3A4CYP2C9POLRMTBTN3A1
SCHEMBL21284203 0.92 CYP3A4 (0.42) CYP3A4CYP2C9POLRMTBTN3A1
SCHEMBL881565 0.89 POLRMT (0.35) CYP3A4CYP2C9POLRMT
SCHEMBL18214641 0.89 POLRMT (0.35) CYP3A4CYP2C9POLRMT
SCHEMBL26288028 0.89 CYP3A4 (0.42) CYP3A4CYP2C9POLRMTBTN3A1
SCHEMBL26288030 0.89 CYP3A4 (0.42) CYP3A4CYP2C9POLRMTBTN3A1
SCHEMBL24120253 0.88 CYP3A4 (0.40) CYP3A4CYP2C9POLRMTBTN3A1
SCHEMBL24088384 0.88 CYP3A4 (0.40) CYP3A4CYP2C9POLRMTBTN3A1
SCHEMBL25804205 0.88 CYP3A4 (0.40) CYP3A4CYP2C9POLRMTBTN3A1

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 3 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
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 — — 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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