SCHEMBL22757330

SCHEMBL22757330

CNC(=O)[C@@H]1CC[C@H](n2cnc3c(NC4CC4)nc(-n4cc(C)nn4)nc32)O1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.46
▸ ADORA1 P30542 13/20 0.44
▸ ADORA2A P29274 7/20 0.43
▸ ADORA2B P29275 3/20 0.43
▸ TMIGD3 P0DMS9 1/20 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
SCHEMBL22757371 0.86 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750585 0.83 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757500 0.77 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BTMIGD3
SCHEMBL22757375 0.74 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2BTMIGD3
SCHEMBL5127791 0.72 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757314 0.72 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757318 0.72 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750613 0.70 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757465 0.69 ADORA3 (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750574 0.69 ADORA3 (0.70) 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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