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SCHEMBL1490263

SCHEMBL1490263

CC(=O)N[C@@H]1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)C1.Cc1ccc(-c2nc(NC(=O)CN3CCC(O)C3)cc(-c3nccs3)n2)o1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.68
▸ ADORA1 P30542 19/20 0.68
▸ KCNH2 Q12809 4/20 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
SCHEMBL1489721 0.96 ADORA2A (0.73) ADORA2AADORA1KCNH2
SCHEMBL1489777 0.96 ADORA2A (0.73) ADORA2AADORA1KCNH2
SCHEMBL1489539 0.96 ADORA2A (0.73) ADORA2AADORA1KCNH2
SCHEMBL1489392 0.93 ADORA2A (0.77) ADORA2AADORA1KCNH2
SCHEMBL1489738 0.93 ADORA2A (0.77) ADORA2AADORA1KCNH2
SCHEMBL1489825 0.92 ADORA2A (0.78) ADORA2AADORA1KCNH2
SCHEMBL1489582 0.90 ADORA2A (0.72) ADORA2AADORA1KCNH2
SCHEMBL1489297 0.90 ADORA2A (0.76) ADORA2AADORA1KCNH2
SCHEMBL1489289 0.89 ADORA2A (0.82) ADORA2AADORA1KCNH2
SCHEMBL1489723 0.88 ADORA2A (0.73) ADORA2AADORA1KCNH2

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
EP-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 — — EP claimed