SCHEMBL24600770

SCHEMBL24600770

CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)NOC)C[C@H]1OC(C)(C)OC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.51
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
NT5E P21589 1/20 0.43

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
SCHEMBL22757359 0.74 ADORA3 (0.52) ADORA3ADORA2AADORA1
SCHEMBL23585883 0.74 ADORA3 (0.46) ADORA3ADORA2AADORA1NT5E
SCHEMBL24601458 0.71 ADORA3 (0.50) ADORA3ADORA2AADORA1NT5E
SCHEMBL23585884 0.70 NT5E (0.57) ADORA3ADORA2AADORA1NT5E
SCHEMBL6482789 0.68 ADORA3 (0.83) ADORA3ADORA2AADORA1
SCHEMBL14069237 0.67 ADORA3 (0.64) ADORA3ADORA2AADORA1
SCHEMBL24601549 0.67 ADORA3 (0.49) ADORA3ADORA2AADORA1
SCHEMBL17202561 0.67 ADORA3 (0.57) ADORA3ADORA2AADORA1NT5E
SCHEMBL17202562 0.67 ADORA3 (0.57) ADORA3ADORA2AADORA1NT5E
SCHEMBL24601147 0.66 ADORA3 (0.49) ADORA3ADORA2AADORA1

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