SCHEMBL23010941

SCHEMBL23010941

CCOc1nc(N)nc2c1ncn2C1O[C@H](COP(O)(=S)OC)CC1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.39
▸ P2RY1 P47900 2/20 0.38
▸ P2RY11 Q96G91 2/20 0.38
▸ HINT1 P49773 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSP90B1 P14625 1/20 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
SCHEMBL20056907 0.93 NT5E (0.40) NT5EP2RY1P2RY11HINT1ADORA2A
SCHEMBL20056910 0.92 NT5E (0.38) NT5EP2RY1P2RY11HINT1ADORA2A
SCHEMBL19827632 0.88 CA5A (0.44) NT5EP2RY1P2RY11ADORA1
SCHEMBL23010227 0.87 NT5E (0.38) NT5EP2RY1P2RY11ADORA2AADORA2B
SCHEMBL18726343 0.87 NT5E (0.39) NT5EHINT1ADORA2AADORA2BADORA3
SCHEMBL16024938 0.84 P2RY1 (0.48) P2RY1P2RY11
SCHEMBL19187036 0.84 NT5E (0.41) NT5EP2RY1P2RY11SLC29A1
SCHEMBL23584291 0.84 ADORA2A (0.45) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL10266182 0.84 ADORA2A (0.45) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL13469562 0.84 ADORA2A (0.45) ADORA2AADORA2BADORA3ADORA1SLC29A1

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-2935303-B1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV JANSSEN BIOPHARMA INC (US) 2021-02-17 — — EP disclosed
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