SCHEMBL25713349

SCHEMBL25713349

Nc1nc2c(ncn2[C@@H]2O[C@H](CO[PH](=O)Oc3ccccc3)[C@@H](CF)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 10/20 0.54
▸ GSK3A P49840 2/20 0.52
▸ RPS6KA3 P51812 2/20 0.52
▸ MAPK14 Q16539 2/20 0.52
▸ NT5E P21589 1/20 0.51
▸ PNP P00491 1/20 0.50
▸ TGM2 P21980 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ FUT5 Q11128 1/20 0.45

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
SCHEMBL25713475 0.83 HINT1 (0.43) HINT1NT5E
SCHEMBL25713720 0.82 POLB (0.47) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL25723749 0.81 HINT1 (0.47) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL23348945 0.81 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL20059085 0.81 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1738428 0.80 HPGD (0.60) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1738430 0.80 HPGD (0.60) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL12746827 0.80 HPGD (0.60) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL12150668 0.80 HPGD (0.60) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1738429 0.80 HPGD (0.60) HINT1GSK3ARPS6KA3MAPK14NT5E

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-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
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