SCHEMBL24600751

SCHEMBL24600751

CNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cccc(C)c4)nc(-c4cncc(Cl)c4)nc32)O1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.56
ADORA2A P29274 5/20 0.51
ADORA1 P30542 5/20 0.51
ADORA2B P29275 2/20 0.51
HTR2C P28335 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
PPARD Q03181 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL26754942 0.92 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL24600988 0.91 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL24601298 0.90 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL24601571 0.90 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL24601279 0.89 ADORA3 (0.50) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL24600931 0.89 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL24601135 0.88 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL29073534 0.88 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL29073536 0.88 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL29762204 0.88 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BHTR2C

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