SCHEMBL24601207

SCHEMBL24601207

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)O)O[C@H]2n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.72
ADORA1 P30542 5/20 0.68
ADORA2A P29274 5/20 0.68
HTR2C P28335 1/20 0.68
PPARG P37231 1/20 0.68
HTR2B P41595 1/20 0.68
PPARD Q03181 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
TP53 P04637 1/20 0.68
CYP1A2 P05177 1/20 0.68
MAPT P10636 1/20 0.68
MAPK1 P28482 1/20 0.68

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
SCHEMBL24601290 0.92 ADORA3 (0.59) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL24600730 0.91 ADORA3 (0.58) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL24600696 0.89 ADORA3 (0.66) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL24600921 0.88 ADORA3 (0.75) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL7103371 0.82 ADORA3 (0.56) ADORA3ADORA1ADORA2A
SCHEMBL6835048 0.82 ADORA3 (0.56) ADORA3ADORA1ADORA2A
SCHEMBL22750498 0.82 ADORA3 (0.68) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL24600773 0.82 NT5E (0.54) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL13382559 0.81 ADORA3 (0.76) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL19366691 0.81 NT5E (0.57) ADORA3ADORA2A

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