SCHEMBL20056907

SCHEMBL20056907

COc1nc(N)nc2c1ncn2C1OC(COP(O)(=S)OC)CC1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.40
▸ P2RY11 Q96G91 3/20 0.39
▸ P2RY1 P47900 2/20 0.39
▸ CYP2C19 P33261 1/20 0.36
▸ FUT5 Q11128 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ HINT1 P49773 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ IMPDH1 P20839 1/20 0.35
▸ ENPP1 P22413 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
SCHEMBL23010941 0.93 NT5E (0.39) NT5EP2RY11P2RY1CYP2C19ADORA3
SCHEMBL23010227 0.92 NT5E (0.38) NT5EP2RY11P2RY1CYP2C19ADORA2A
SCHEMBL20056910 0.85 NT5E (0.38) NT5EP2RY11P2RY1ADORA3ADORA1
SCHEMBL18636243 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1ADORA2AADORA2B
SCHEMBL15628203 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10268842 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1287306 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10268734 0.85 CYP2C19 (0.44) CYP2C19ADORA3ADORA1ADORA2AADORA2B
SCHEMBL19186747 0.84 NT5E (0.41) NT5EP2RY11P2RY1FUT5IMPDH2
SCHEMBL19827632 0.81 CA5A (0.44) NT5EP2RY11P2RY1ADORA1IMPDH2

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 2 patents. 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
EP-2655392-B1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2018-04-18 — — EP disclosed
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