SCHEMBL4969425

SCHEMBL4969425

CSc1nc(NCc2cccc(I)c2)c2ncn([C@H]3O[C@H](C(O)NC=O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.57
ADORA1 P30542 6/20 0.57
ADORA2A P29274 5/20 0.57
ADORA2B P29275 3/20 0.57
MAPK1 P28482 3/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
ABCG2 Q9UNQ0 2/20 0.57
CYP1A2 P05177 2/20 0.57
MAPT P10636 2/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL447583 1.00 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL2445029 0.89 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL4971922 0.89 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL449676 0.89 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL4969689 0.89 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL453046 0.89 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL19459893 0.84 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL8983111 0.80 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL25396739 0.79 ADORA3 (0.73) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL7287853 0.79 ADORA3 (0.73) ADORA3ADORA1ADORA2AADORA2BMAPK1

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