SCHEMBL24601549

SCHEMBL24601549

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.49
ADORA1 P30542 6/20 0.40
ADORA2B P29275 2/20 0.40
ADORA2A P29274 3/20 0.36
IARS1 P41252 1/20 0.35

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
SCHEMBL29073618 0.87 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL29073628 0.87 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL30581128 0.87 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601152 0.87 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601147 0.86 ADORA3 (0.49) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601146 0.84 ADORA3 (0.47) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600695 0.79 ADORA3 (0.51) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600936 0.76 ADORA3 (0.40) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600699 0.76 ADORA3 (0.48) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24600693 0.76 NT5E (0.42) ADORA3ADORA1ADORA2BADORA2A

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