SCHEMBL22757314

SCHEMBL22757314

CNC(=O)C1C[C@@H](O)[C@H](n2cnc3c(NCC(F)F)nc(-n4cc(C)nn4)nc32)O1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.51
▸ ADORA1 P30542 15/20 0.46
▸ ADORA2B P29275 3/20 0.44
▸ ADORA2A P29274 2/20 0.44

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
SCHEMBL22757485 0.89 ADORA3 (0.49) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757473 0.87 ADORA3 (0.49) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757401 0.86 ADORA3 (0.60) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750483 0.86 ADORA3 (0.60) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757371 0.86 ADORA3 (0.54) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757423 0.82 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757508 0.81 ADORA3 (0.50) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757456 0.80 ADORA3 (0.48) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757412 0.80 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757515 0.79 ADORA3 (0.51) 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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