Gw493838

Gw493838

SCHEMBL6935807

CC(C)(C)c1nnc(C2OC(n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)C(O)C2O)o1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1

The experimentally established mechanism targets of Gw493838. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 known ✓ P30542 10/20 0.66
ADORA3 P0DMS8 10/20 0.66
ADORA2A P29274 8/20 0.66
ADORA2B P29275 5/20 0.66
PRMT5 O14744 4/20 0.44
WDR77 Q9BQA1 4/20 0.44

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
Gw493838 SCHEMBL6696560 1.00 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL29384676 1.00 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6250937 1.00 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL6225102 1.00 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5
Gw493838 SCHEMBL7192949 0.93 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6574202 0.90 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576757 0.90 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574679 0.90 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6572751 0.90 ADORA3 (0.71) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL6575135 0.88 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370569-A1 PROCESS FOR PREPARING N6-SUBSTITUTED AMINOPURINE RIBOFURANOSE NUCLEOSIDES GLAXO GROUP LIMITED (GB) 2003-12-17 EP claimed
WO-2002102392-A1 USE OF ADENOSINE A1 RECEPTOR AGONISTS FOR THE TREATMENT OF NOCICEPTIVE PAIN GLAXO GROUP LIMITED (GB) 2002-12-27 WO claimed
WO-2002074781-A1 PROCESS FOR PREPARING N6-SUBSTITUTED AMINOPURINE RIBOFURANOSE NUCLEOSIDES GLAXO GROUP LIMITED (GB) 2002-09-26 WO claimed