SCHEMBL935056

SCHEMBL935056

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

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.78
ADORA1 P30542 7/20 0.78
ADORA2A P29274 5/20 0.78
HTR2C P28335 1/20 0.78
PPARG P37231 1/20 0.78
HTR2B P41595 1/20 0.78
PPARD Q03181 1/20 0.78
ABCG2 Q9UNQ0 1/20 0.78
TP53 P04637 1/20 0.78
CYP1A2 P05177 1/20 0.78
MAPT P10636 1/20 0.78
MAPK1 P28482 1/20 0.78
ADORA2B P29275 1/20 0.69

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
SCHEMBL29464001 1.00 ADORA3 (0.78) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL935807 1.00 ADORA3 (0.78) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL8983111 0.89 ADORA3 (0.75) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL29463995 0.89 ADORA3 (0.77) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL25396739 0.88 ADORA3 (0.73) ADORA3ADORA1ADORA2AHTR2CPPARG
SCHEMBL7287853 0.88 ADORA3 (0.73) ADORA3ADORA1ADORA2AHTR2CPPARG
Namodenoson SCHEMBL1170028 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2CPPARG
Namodenoson SCHEMBL15148066 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2CPPARG
Namodenoson SCHEMBL29376760 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2CPPARG
Namodenoson SCHEMBL15150531 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2CPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9668959-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2017-06-06 US disclosed
EP-2456419-B1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD (IL) 2016-11-23 EP disclosed
US-20160136079-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2016-05-19 US disclosed
US-9199102-B2 A3 adenosine receptor ligands for modulation of pigmentation ORADIN PHARMACEUTICAL LTD. (IL) 2015-12-01 US disclosed
US-20120134945-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2012-05-31 US disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 EP disclosed
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 WO disclosed