SCHEMBL24601057

SCHEMBL24601057

CNC(=O)[C@H]1O[C@@H](n2cnc3c(O)nc(-c4ccccn4)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.46
ADORA1 P30542 12/20 0.46
ADORA2A P29274 10/20 0.46
ADORA2B P29275 5/20 0.40

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
SCHEMBL24601007 0.92 ADORA3 (0.46) ADORA3ADORA1ADORA2A
SCHEMBL24601058 0.90 ADORA2A (0.37) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601056 0.90 ADORA2A (0.37) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601008 0.87 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601526 0.87 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601009 0.87 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601294 0.82 PI4KA (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601301 0.82 PI4KA (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601293 0.82 PI4KA (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757490 0.80 ADORA3 (0.48) 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-2022143740-A1 ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江春禾医药科技有限公司 2022-07-07 WO disclosed