SCHEMBL4669197

SCHEMBL4669197

Cc1cnn([C@H]2CC(n3cnc4c(N)nc(N[C@@H]5CCC[C@@H]5OCc5ccccc5)nc43)C(O)[C@@H]2O)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.64
ADORA3 P0DMS8 3/20 0.64
MERTK Q12866 9/20 0.43
AXL P30530 7/20 0.43
MET P08581 2/20 0.43
TYRO3 Q06418 2/20 0.43
ADORA1 P30542 2/20 0.43

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
SCHEMBL591350 1.00 ADORA2A (0.64) ADORA2AADORA3MERTKAXLMET
SCHEMBL3257520 1.00 ADORA2A (0.64) ADORA2AADORA3MERTKAXLMET
SCHEMBL589606 1.00 ADORA2A (0.64) ADORA2AADORA3MERTKAXLMET
SCHEMBL590519 1.00 ADORA2A (0.64) ADORA2AADORA3MERTKAXLMET
SCHEMBL589607 1.00 ADORA2A (0.64) ADORA2AADORA3MERTKAXLMET
SCHEMBL4367305 0.84 ADORA2A (0.60) ADORA2AADORA3
SCHEMBL590421 0.84 ADORA2A (0.60) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL588605 0.80 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL591104 0.78 ADORA2A (1.00) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL589376 0.77 ADORA2A (0.68) ADORA2AADORA3ADORA1

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-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed