SCHEMBL24601162

SCHEMBL24601162

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
MAPT P10636 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
ACHE P22303 3/20 0.64
ADORA3 P0DMS8 3/20 0.63
NT5E P21589 10/20 0.63
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
PRKAB1 Q9Y478 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
SCHEMBL24078860 0.92 ACHE (0.66) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL19370259 0.92 ACHE (0.66) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL24600767 0.92 ADORA3 (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120612 0.91 ACHE (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120610 0.91 ACHE (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120608 0.91 ACHE (0.65) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL24601182 0.91 ADORA3 (0.78) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8326734 0.90 ALDH1A1 (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL24601281 0.90 ACHE (0.63) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120513 0.89 ACHE (0.62) ALDH1A1LMNATP53MAPTTDP1

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