SCHEMBL25720918

SCHEMBL25720918

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2C(O[PH](=O)Oc3ccccc3)[C@]2(CF)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.36
▸ HINT1 P49773 2/20 0.36
▸ ADORA2A P29274 6/20 0.36
▸ ADORA2B P29275 6/20 0.36
▸ ADORA3 P0DMS8 5/20 0.36
▸ ADORA1 P30542 5/20 0.36
▸ NT5E P21589 3/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSP90B1 P14625 1/20 0.34

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
SCHEMBL25715184 0.90 SLC29A1 (0.34) SLC29A1HINT1ADORA2AADORA2BADORA3
SCHEMBL25723791 0.87 SLC29A1 (0.36) SLC29A1HINT1ADORA2AADORA2BADORA3
SCHEMBL25723762 0.83 HINT1 (0.46) HINT1NT5E
SCHEMBL25713475 0.78 HINT1 (0.43) SLC29A1HINT1ADORA2AADORA2BADORA3
SCHEMBL25720930 0.77 CYP3A4 (0.41) HINT1ADORA2AADORA2BADORA3ADORA1
SCHEMBL25713585 0.77 CYP3A4 (0.41) HINT1ADORA2AADORA2BADORA3ADORA1
SCHEMBL18512911 0.77 CYP3A4 (0.41) HINT1ADORA2AADORA2BADORA3ADORA1
SCHEMBL25723814 0.75 HINT1 (0.42) SLC29A1HINT1ADORA2AADORA2BADORA3
SCHEMBL23348935 0.75 HINT1 (0.38) SLC29A1HINT1ADORA2AADORA2BADORA3
SCHEMBL22474866 0.75 HINT1 (0.38) SLC29A1HINT1ADORA2AADORA2BADORA3

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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