SCHEMBL7206326

SCHEMBL7206326

CCc1noc(C2OC(n3cnc4c(N)nc(NCCc5cn(C)cn5)nc43)C(O)C2O)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.49
ADORA2A P29274 4/20 0.49
ADORA2B P29275 4/20 0.49
ADORA1 P30542 4/20 0.49

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
SCHEMBL7206324 1.00 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7207888 0.91 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7203070 0.88 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL8100503 0.88 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7208447 0.88 ADORA2A (0.47) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7205590 0.87 PGK1 (0.58) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7205046 0.87 PGK1 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7206736 0.85 ADORA2A (0.59) ADORA3ADORA2AADORA2BADORA1
Trifluoroacetic Acid SCHEMBL7210128 0.85 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7205090 0.85 ADORA2A (0.52) ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed