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Sugi Predict / Compounds / SCHEMBL19503479

SCHEMBL19503479

SCHEMBL19503479

CSc1nc(N)c2ncn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.73
▸ ADORA2B P29275 1/20 0.65
▸ P2RY1 P47900 3/20 0.49
▸ ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL22399999 1.00 AHCY (0.73) AHCYADORA2BP2RY1ADORA3
SCHEMBL19503898 1.00 AHCY (0.73) AHCYADORA2BP2RY1ADORA3
SCHEMBL29319924 0.89 AHCY (0.57) AHCYADORA2BP2RY1ADORA3
SCHEMBL22399995 0.89 AHCY (0.57) AHCYADORA2BP2RY1ADORA3
SCHEMBL16290177 0.88 AHCY (0.56) AHCYADORA2BP2RY1
SCHEMBL12330956 0.88 AHCY (0.56) AHCYADORA2BP2RY1
SCHEMBL4147869 0.87 AHCY (0.68) AHCYADORA2BADORA3
SCHEMBL10673149 0.85 AHCY (1.00) AHCYADORA2B
SCHEMBL10673142 0.85 AHCY (1.00) AHCYADORA2B
Phosphoric Acid SCHEMBL8862399 0.83 AHCY (0.62) AHCYADORA2BADORA3

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
WO-2019157317-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-08-15 — — WO disclosed
WO-2017185061-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-26 — — WO disclosed