SCHEMBL22757500

SCHEMBL22757500

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 16/20 0.55
▸ TMIGD3 P0DMS9 3/20 0.55
▸ ADORA1 P30542 11/20 0.49
▸ ADORA2A P29274 7/20 0.45
▸ ADORA2B P29275 3/20 0.45

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
SCHEMBL22750588 0.79 ADORA3 (0.56) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL22757330 0.77 ADORA3 (0.46) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL22750488 0.76 ADORA3 (0.57) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL20122153 0.74 ADORA3 (0.66) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL22750582 0.73 ADORA3 (0.50) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL22757465 0.72 ADORA3 (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16774389 0.71 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL22757464 0.70 ADORA3 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL25566692 0.69 ADORA3 (0.68) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL14156325 0.69 ADORA3 (0.77) 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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