SCHEMBL5507269

SCHEMBL5507269

CCCn1c(=O)c2[nH]c(-c3c[nH]nc3Cc3cc(-c4ccc(Cl)cc4)on3)nc2n(CC)c1=O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.68
ADORA1 P30542 12/20 0.68
ADORA2A P29274 9/20 0.68
ADORA3 P0DMS8 10/20 0.64

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
SCHEMBL5507265 0.85 ADORA2B (0.67) ADORA2BADORA1ADORA2AADORA3
SCHEMBL240141 0.81 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1944501 0.78 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4176128 0.74 ADORA2B (0.62) ADORA2BADORA1ADORA2AADORA3
SCHEMBL3466506 0.74 ADORA2B (0.59) ADORA2BADORA1ADORA2AADORA3
SCHEMBL3466169 0.73 ADORA2B (0.65) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1944545 0.73 ADORA2B (0.53) ADORA2BADORA1ADORA2AADORA3
SCHEMBL5685513 0.73 ADORA2B (0.59) ADORA2BADORA1ADORA2AADORA3
SCHEMBL5687959 0.73 ADORA2B (0.63) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1943830 0.73 ADORA2B (0.55) ADORA2BADORA1ADORA2AADORA3

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-1789053-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-05-30 EP claimed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO claimed