SCHEMBL4467952

SCHEMBL4467952

CCCc1ccc(CNC(=O)c2cnc3c(cnn3CC)c2NC2CCOCC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.84
NR3C1 P04150 1/20 0.54
PDE4D Q08499 1/20 0.51

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
SCHEMBL4330793 0.93 PDE4B (0.87) PDE4BNR3C1PDE4D
SCHEMBL4338662 0.92 PDE4B (0.85) PDE4BNR3C1PDE4D
SCHEMBL4336911 0.92 PDE4B (0.85) PDE4BNR3C1PDE4D
SCHEMBL4336285 0.92 PDE4B (0.85) PDE4BNR3C1PDE4D
SCHEMBL4340499 0.91 PDE4B (0.84) PDE4BNR3C1PDE4D
SCHEMBL4330617 0.91 PDE4B (0.84) PDE4BNR3C1PDE4D
SCHEMBL4334268 0.91 PDE4B (0.84) PDE4BNR3C1PDE4D
SCHEMBL4339584 0.91 PDE4B (0.84) PDE4BNR3C1PDE4D
SCHEMBL4343356 0.91 PDE4B (1.00) PDE4BPDE4D
SCHEMBL5962657 0.91 PDE4B (0.85) PDE4BNR3C1PDE4D

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-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP claimed