SCHEMBL22475009

SCHEMBL22475009

COC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](C)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.64
▸ NT5E P21589 1/20 0.61
▸ GSK3A P49840 2/20 0.58
▸ RPS6KA3 P51812 2/20 0.58
▸ MAPK14 Q16539 2/20 0.58
▸ TGM2 P21980 1/20 0.57
▸ PNP P00491 1/20 0.56
▸ FUT5 Q11128 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ IMPDH2 P12268 1/20 0.54
▸ IMPDH1 P20839 1/20 0.54
▸ KRAS P01116 4/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52

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
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.92 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.92 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL383785 0.92 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL15338533 0.92 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.92 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL5972612 0.91 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL4369589 0.90 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL4371108 0.89 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL4374452 0.89 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19831524 0.89 HPGD (0.62) HINT1NT5EGSK3ARPS6KA3MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 — — EP disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 — — EP disclosed
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