SCHEMBL13761237

SCHEMBL13761237

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(Cl)c(-c3cccc(CO)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.48
NR3C1 P04150 1/20 0.39
WDR5 P61964 2/20 0.38
MAPK1 P28482 4/20 0.37
PIK3CA P42336 1/20 0.35

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
SCHEMBL13761217 0.93 PDE4B (0.53) PDE4BNR3C1WDR5MAPK1PIK3CA
SCHEMBL4191247 0.93 PDE4B (0.45) PDE4BNR3C1
SCHEMBL12062838 0.93 PDE4B (0.49) PDE4BNR3C1WDR5MAPK1
SCHEMBL1363664 0.93 PDE4B (0.45) PDE4BNR3C1
SCHEMBL1362407 0.92 PDE4B (0.45) PDE4BNR3C1MAPK1
SCHEMBL1362652 0.92 PDE4B (0.44) PDE4BNR3C1PIK3CA
SCHEMBL1364865 0.92 PDE4B (0.44) PDE4BNR3C1MAPK1
SCHEMBL1362521 0.92 PDE4B (0.44) PDE4B
SCHEMBL1364353 0.92 PDE4B (0.44) PDE4BNR3C1
SCHEMBL1362463 0.91 PDE4B (0.43) PDE4BNR3C1

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
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed