SCHEMBL22750502

SCHEMBL22750502

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(-c4cn(CC5CC5)nn4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.64
▸ ADORA1 P30542 11/20 0.62
▸ ADORA2B P29275 8/20 0.62
▸ ADORA2A P29274 7/20 0.62

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
SCHEMBL22750604 0.97 ADORA3 (0.67) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750493 0.91 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757416 0.90 ADORA3 (0.66) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750480 0.90 ADORA3 (0.66) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750563 0.87 ADORA3 (0.63) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750581 0.82 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750642 0.79 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757514 0.79 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750518 0.79 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750585 0.77 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 2 patents. 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
WO-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
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