SCHEMBL22757465

SCHEMBL22757465

CNC(=O)[C@@H]1CC[C@H](n2cnc3c(Br)cc(Br)nc32)O1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.39
▸ ADORA1 P30542 5/20 0.37
▸ ADORA2A P29274 5/20 0.37
▸ ADORA2B P29275 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL22757464 0.89 ADORA3 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL22757369 0.73 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BLMNA
SCHEMBL22757500 0.72 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757418 0.70 ADORA3 (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757470 0.70 ADORA1 (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757330 0.69 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600792 0.67 LMNA (0.47) ADORA3ALDH1A1LMNACYP1A2
SCHEMBL22757370 0.65 PI4KA (0.44) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL12826793 0.65 PDE4D (0.55) ADORA3ADORA1ADORA2ALMNA
SCHEMBL23898646 0.64 ADORA2A (0.54) ADORA3ADORA1ADORA2AADORA2BALDH1A1

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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