SCHEMBL24601146

SCHEMBL24601146

CNc1nc(-c2cncc(Oc3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NOC)C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.47
ADORA1 P30542 9/20 0.42
ADORA2A P29274 6/20 0.39
ADORA2B P29275 2/20 0.38
P2RY1 P47900 1/20 0.37
CHKA P35790 2/20 0.37

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
SCHEMBL24601147 0.88 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073648 0.88 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29762104 0.88 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073660 0.88 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL26628433 0.88 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601549 0.84 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601198 0.80 TSHR (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600675 0.80 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL26753672 0.79 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29762189 0.79 ADORA3 (0.52) 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