SCHEMBL22757369

SCHEMBL22757369

CNC(=O)[C@H]1O[C@@H](n2cnc3c(Br)cc(Br)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.47
▸ ADORA1 P30542 7/20 0.45
▸ ADORA2B P29275 4/20 0.45
▸ ADORA2A P29274 2/20 0.44
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90B1 P14625 1/20 0.42
▸ AHCY P23526 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 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
SCHEMBL22757345 0.91 ADORA3 (0.49) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL22757370 0.90 PI4KA (0.44) ADORA3ADORA1ADORA2BADORA2ALMNA
SCHEMBL22757382 0.87 ADORA3 (0.50) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL24601011 0.82 ADORA3 (0.57) ADORA3ADORA1ADORA2ATSHRLMNA
SCHEMBL14111376 0.82 ADORA3 (0.56) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL14086537 0.82 ADORA3 (0.56) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL22757368 0.82 PI4KA (0.40) ADORA3ADORA2BADORA2ALMNAAHCY
SCHEMBL14111548 0.81 ADORA3 (0.55) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL14086536 0.81 ADORA3 (0.55) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL22750501 0.80 ADORA3 (0.61) ADORA3ADORA1ADORA2BADORA2ATSHR

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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