SCHEMBL5184875

SCHEMBL5184875

CCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCOCC1)c1ccc(C(C)C)cc1.CCn1ncc2c(NC3CCOCC3)c(C(=O)NC(C)c3ccccc3C)cnc21

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.58

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
SCHEMBL4937508 0.92 PDE4B (0.67) PDE4B
SCHEMBL4929516 0.91 PDE4B (0.68) PDE4B
SCHEMBL4933847 0.91 PDE4B (0.68) PDE4B
SCHEMBL4935669 0.90 PDE4B (0.66) PDE4B
SCHEMBL4935285 0.88 PDE4B (0.72) PDE4B
SCHEMBL4935494 0.88 PDE4B (0.72) PDE4B
SCHEMBL4936859 0.87 PDE4B (0.68) PDE4B
SCHEMBL4927591 0.87 PDE4B (0.68) PDE4B
SCHEMBL4936023 0.87 PDE4B (0.70) PDE4B
SCHEMBL4932499 0.86 PDE4B (0.65) PDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007514704-A 2007-06-07 JP claimed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP claimed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO claimed