SCHEMBL22757485

SCHEMBL22757485

CNC(=O)[C@@H]1C[C@@H](O)C(n2cnc3c(NCC(F)F)nc(-n4cc(CCOC)nn4)nc32)O1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.49
▸ ADORA1 P30542 14/20 0.49
▸ ADORA2A P29274 3/20 0.43
▸ ADORA2B P29275 2/20 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
SCHEMBL22757449 0.90 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757390 0.90 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757328 0.90 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757314 0.89 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750526 0.88 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757400 0.88 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757460 0.85 ADORA3 (0.46) ADORA3ADORA1ADORA2A
SCHEMBL22757473 0.84 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757423 0.78 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757459 0.78 ADORA1 (0.65) ADORA3ADORA1ADORA2AADORA2B

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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