SCHEMBL29073789

SCHEMBL29073789

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.62
ADORA1 P30542 11/20 0.62
ADORA2A P29274 5/20 0.58
HSP90B1 P14625 1/20 0.56
ADORA2B P29275 4/20 0.54

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
SCHEMBL29073793 1.00 ADORA3 (0.62) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL29762121 1.00 ADORA3 (0.62) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL24600612 1.00 ADORA3 (0.62) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL29073528 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL24600610 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL29073625 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL24601364 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL29762240 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL29762083 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AHSP90B1ADORA2B
SCHEMBL29073619 0.91 ADORA3 (0.61) ADORA3ADORA1ADORA2AHSP90B1ADORA2B

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