SCHEMBL29073528

SCHEMBL29073528

CCNC(=O)C1OC(n2cnc3c(NC)nc(-c4cncc(F)c4)nc32)C(O)C1O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.61
ADORA1 P30542 9/20 0.61
ADORA2A P29274 6/20 0.58
ADORA2B P29275 2/20 0.58
HSP90B1 P14625 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
SCHEMBL24601364 1.00 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29073532 1.00 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29762240 1.00 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29073690 0.92 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL26628524 0.92 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600615 0.92 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29762092 0.92 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073682 0.92 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600612 0.91 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29762121 0.91 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1

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