Sugi Predict

Sugi Predict / Compounds / SCHEMBL18697869

SCHEMBL18697869

SCHEMBL18697869

C=C(C[C@H](NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCC)c1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32

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
SCHEMBL12465034 0.89 CYP3A4 (0.34) CYP3A4CYP2C9
SCHEMBL10149581 0.89 CYP3A4 (0.34) CYP3A4CYP2C9
SCHEMBL12833399 0.89 CYP3A4 (0.34) CYP3A4CYP2C9
SCHEMBL10149548 0.88 CYP3A4 (0.41) CYP3A4CYP2C9
SCHEMBL27350904 0.88 CYP3A4 (0.41) CYP3A4CYP2C9
SCHEMBL10149569 0.87 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL10149587 0.87 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL10149566 0.86 CYP3A4 (0.36) CYP3A4CYP2C9
SCHEMBL10149552 0.84 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL10149577 0.84 MAPT (0.38) CYP3A4CYP2C9

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