SCHEMBL22757412

SCHEMBL22757412

CNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCC(F)F)nc(-c4nn[nH]c4C)nc32)O1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.51
▸ ADORA1 P30542 10/20 0.42
▸ ADORA2B P29275 9/20 0.42
▸ ADORA2A P29274 6/20 0.42

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
SCHEMBL22750606 0.86 ADORA3 (0.58) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757426 0.86 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757515 0.86 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757423 0.83 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757314 0.80 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757413 0.80 ADORA3 (0.38) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757485 0.75 ADORA3 (0.49) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757424 0.75 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757473 0.74 ADORA3 (0.49) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757513 0.71 ADORA3 (0.54) 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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