SCHEMBL29073483

SCHEMBL29073483

CNC(=O)[C@@H]1OC(n2cnc3c(NC)nc(-c4cccnc4)nc32)C(O)C1O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.65
ADORA1 P30542 13/20 0.65
ADORA2B P29275 4/20 0.65
ADORA2A P29274 9/20 0.61
ADRA2A P08913 1/20 0.55
TMIGD3 P0DMS9 1/20 0.55

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
SCHEMBL29073477 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL26628399 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL29762311 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL24601367 0.92 ADORA3 (0.62) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL29762201 0.92 ADORA3 (0.62) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL29073847 0.92 ADORA3 (0.62) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL29073850 0.92 ADORA3 (0.62) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL29762338 0.89 ADORA3 (0.72) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL29073811 0.89 ADORA3 (0.72) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601074 0.89 ADORA3 (0.72) 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
CN-116783196-A A3 adenosine receptor agonists, methods of making and uses thereof 浙江春禾医药科技有限公司 2023-09-19 CN claimed