SCHEMBL29073576

SCHEMBL29073576

CCNC(=O)C1OC(n2cnc3c(NCc4ccccc4)nc(C(C)C)nc32)C(O)C1O

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
ADORA3 P0DMS8 10/20 0.66
ADORA2A P29274 10/20 0.66
ADORA2B P29275 8/20 0.66
ADORA1 P30542 7/20 0.66

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
SCHEMBL24601275 1.00 TSHR (0.75) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL29762115 1.00 TSHR (0.75) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL29073581 1.00 TSHR (0.75) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL29073599 0.92 ADORA3 (0.79) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL24601412 0.92 ADORA3 (0.79) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL29073604 0.92 ADORA3 (0.79) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL29762267 0.92 ADORA3 (0.79) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL24601389 0.91 ADORA3 (0.63) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL29762224 0.91 ADORA3 (0.63) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL29762088 0.89 ADORA3 (0.70) TSHRADORA3ADORA2AADORA2BADORA1

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