SCHEMBL24600716

SCHEMBL24600716

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.61
▸ ADORA1 P30542 7/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA2A P29274 4/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ TMIGD3 P0DMS9 1/20 0.41

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
SCHEMBL24600949 0.90 ADORA3 (0.61) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600983 0.89 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600978 0.89 ADORA3 (0.59) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600744 0.87 ADORA3 (0.48) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600732 0.87 ADORA3 (0.48) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600733 0.87 ADORA3 (0.48) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601487 0.87 ADORA3 (0.47) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600752 0.87 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2ATMIGD3
SCHEMBL24600854 0.86 ADORA3 (0.61) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL24601081 0.85 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2AADRA2A

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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