SCHEMBL4969689

SCHEMBL4969689

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.70
ADORA1 P30542 7/20 0.70
ADORA2A P29274 4/20 0.70
ADORA2B P29275 1/20 0.70
HTR2C P28335 1/20 0.70
PPARG P37231 1/20 0.70
HTR2B P41595 1/20 0.70
PPARD Q03181 1/20 0.70
ABCG2 Q9UNQ0 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
MAPT P10636 1/20 0.70
MAPK1 P28482 1/20 0.70

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
SCHEMBL453046 1.00 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL8983111 0.90 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL449676 0.90 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL4971922 0.90 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL2445029 0.90 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL4969425 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL447583 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL25396739 0.89 ADORA3 (0.73) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL7287853 0.89 ADORA3 (0.73) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL1953889 0.87 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976494-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS Can-Fite Biopharma Ltd. (IL) 2008-10-08 EP disclosed
WO-2007086044-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS CAN-FITE BIOPHARMA LTD. (IL) 2007-08-02 WO disclosed
EP-1778239-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS INCLUDING SJOGREN'S SYNDROME Can-Fite Biopharma Ltd. (IL) 2007-05-02 EP disclosed
WO-2006011130-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS INCLUDING SJOGREN’S SYNDROME CAN-FITE BIOPHARMA LTD. (IL) 2006-02-02 WO disclosed