SCHEMBL29540360

SCHEMBL29540360

Nc1ncnc2c1ncn2C1OCC(OC(=O)C2CSCN2)C1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.47
▸ HSP90B1 P14625 3/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ DNMT1 P26358 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ EPRS1 P07814 2/20 0.43
▸ DNMT3B Q9UBC3 1/20 0.43

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
SCHEMBL30744251 0.79 ADORA3 (0.53) AHCYHSP90B1ADORA2BHIF1ATMEM97
SCHEMBL30861853 0.78 HSP90B1 (0.55) AHCYHSP90B1ADORA2BHIF1ATMEM97
SCHEMBL4314015 0.75 ADORA1 (0.61) —
SCHEMBL22799204 0.74 AHCY (0.55) AHCYHSP90B1ADORA2BHIF1ATMEM97
SCHEMBL25607786 0.72 P2RY1 (0.55) —
SCHEMBL29365543 0.72 P2RY1 (0.55) —
SCHEMBL23982071 0.72 ADORA3 (0.64) AHCYHSP90B1ADORA2BHIF1ATMEM97
SCHEMBL12948478 0.72 ADORA3 (0.67) AHCYHSP90B1ADORA2BHIF1ATMEM97
SCHEMBL2117950 0.72 ADORA3 (0.67) AHCYHSP90B1ADORA2BHIF1ATMEM97
SCHEMBL22799279 0.72 ADORA3 (0.64) AHCYHSP90B1ADORA2BHIF1ATMEM97

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-3974563-A1 CYCLIC PEPTIDES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-03-30 — — EP disclosed
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