SCHEMBL24601258

SCHEMBL24601258

CCNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cc(OC)ccn4)nc(-c4cncc(Cl)c4)nc32)O1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.40
ADORA1 P30542 4/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 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
SCHEMBL24601262 0.94 ADORA3 (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601264 0.93 ADORA3 (0.38) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601261 0.92 ADORA3 (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601260 0.92 ADORA3 (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601263 0.92 ADORA3 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL24601226 0.90 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600904 0.89 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600916 0.87 KCNA5 (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601117 0.86 ADORA3 (0.42) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600695 0.84 ADORA3 (0.51) 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