SCHEMBL22757463

SCHEMBL22757463

CNC(=O)[C@H]1OC(n2cnc3c(NC)nc(-n4cc(C5CC5)nn4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.65
▸ ADORA1 P30542 16/20 0.65
▸ ADORA2B P29275 3/20 0.62
▸ ADORA2A P29274 5/20 0.56

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
SCHEMBL22750513 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750571 0.91 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757409 0.91 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750595 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757510 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757329 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757461 0.84 ADORA3 (0.86) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757402 0.84 ADORA3 (0.86) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750559 0.84 ADORA3 (0.86) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750585 0.83 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2A

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
WO-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
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