SCHEMBL24600978

SCHEMBL24600978

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-c4cncc(OC)c4)nc32)C[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.59
▸ ADORA1 P30542 10/20 0.45
▸ ADORA2A P29274 7/20 0.45
▸ ADORA2B P29275 1/20 0.43
▸ P2RY1 P47900 1/20 0.38

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
SCHEMBL24600716 0.89 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600949 0.89 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600944 0.88 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601249 0.87 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600954 0.86 ADORA3 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601244 0.85 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073783 0.85 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29762208 0.85 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600860 0.85 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073787 0.85 ADORA3 (0.62) 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
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