SCHEMBL24601182

SCHEMBL24601182

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.78
ADORA1 P30542 7/20 0.70
ADORA2A P29274 5/20 0.70
TP53 P04637 2/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ADORA2B P29275 1/20 0.64
HTR2C P28335 1/20 0.62
PPARG P37231 1/20 0.62
HTR2B P41595 1/20 0.62
PPARD Q03181 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
CYP1A2 P05177 1/20 0.62
MAPK1 P28482 1/20 0.62

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
SCHEMBL24600767 0.92 ADORA3 (0.65) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL24601162 0.91 ALDH1A1 (0.70) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL7743869 0.88 ADORA3 (0.66) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL1120610 0.85 ACHE (0.65) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL1120608 0.85 ACHE (0.65) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL1120612 0.85 ACHE (0.65) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL4803791 0.84 ALDH1A1 (0.61) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL4803780 0.84 ALDH1A1 (0.61) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL4803787 0.84 ALDH1A1 (0.61) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL24078860 0.83 ACHE (0.66) ADORA3ADORA1ADORA2ATP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273153-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF Zhejiang Vimgreen Pharmaceuticals, Ltd (CN) 2023-11-08 EP disclosed
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