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SCHEMBL15580656

SCHEMBL15580656

CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)nc(F)nn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ BTN3A1 O00481 8/20 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
SCHEMBL10142758 1.00 CYP3A4 (0.36) CYP3A4CYP2C9BTN3A1
SCHEMBL15580642 0.95 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1
SCHEMBL10142762 0.95 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1
SCHEMBL10142347 0.95 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1
SCHEMBL10142354 0.95 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1
SCHEMBL15340433 0.92 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1
SCHEMBL10142627 0.92 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1
SCHEMBL10142360 0.90 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1
SCHEMBL10142357 0.90 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1
SCHEMBL10142301 0.90 CYP3A4 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576534-B1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2014-03-19 — — EP disclosed
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