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SCHEMBL3158124

SCHEMBL3158124

Cc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NC5CCC(NC(=O)NC6CCN(c7ccccn7)CC6)CC5)nc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.52
▸ ADORA3 P0DMS8 6/20 0.47

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
Trifluoroacetic Acid SCHEMBL589520 0.97 ADORA2A (0.49) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL590604 0.89 ADORA2A (0.55) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL3153924 0.83 ADORA2A (0.63) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL590621 0.83 ADORA2A (0.63) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL589625 0.81 ADORA2A (0.56) ADORA2AADORA3
SCHEMBL590955 0.80 ADORA2A (0.70) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL589050 0.80 ADORA2A (0.51) ADORA2AADORA3
SCHEMBL589039 0.80 ADORA2A (0.55) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL243160 0.80 ADORA2A (0.60) ADORA2AADORA3
SCHEMBL590497 0.79 ADORA2A (0.71) ADORA2AADORA3

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-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 — — EP disclosed