SCHEMBL22757489

SCHEMBL22757489

CCCNc1nc(-c2cnn(-c3ccccn3)c2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.47
ADORA1 P30542 15/20 0.47
ADORA2B P29275 8/20 0.47
ADRA2A P08913 1/20 0.43
TMIGD3 P0DMS9 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADORA2A P29274 10/20 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
SCHEMBL22750484 0.89 ADORA3 (0.61) ADORA3ADORA1ADORA2BADRA2ATMIGD3
SCHEMBL22757452 0.87 ADORA3 (0.57) ADORA3ADORA1ADORA2BADRA2ATMIGD3
SCHEMBL22757490 0.83 ADORA3 (0.48) ADORA3ADORA1ADORA2BADRA2ATMIGD3
SCHEMBL22757357 0.83 ADORA3 (0.48) ADORA3ADORA1ADORA2BADRA2ATMIGD3
SCHEMBL22757506 0.82 ADORA3 (0.46) ADORA3ADORA1ADORA2BADRA2ATMIGD3
SCHEMBL22757365 0.81 ADORA3 (0.60) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750475 0.78 ADORA3 (0.59) ADORA3ADORA1ADORA2BADRA2ATMIGD3
SCHEMBL24601008 0.77 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601526 0.77 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601009 0.77 ADORA3 (0.57) 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