Sugi Predict

Sugi Predict / Compounds / SCHEMBL5253166

SCHEMBL5253166

SCHEMBL5253166

CCn1ncc2c(NC3CCC(=NO)CC3)c(C(=O)NC(C)c3ccc(C)cc3C)cnc21.CCn1ncc2c(NC3CCC(=NO)CC3)c(C(=O)NC(C)c3ccc(C)cc3C)cnc21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.49
▸ PDE4D Q08499 7/20 0.45

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
SCHEMBL4936716 1.00 PDE4B (0.49) PDE4BPDE4D
SCHEMBL5173866 0.93 PDE4D (0.46) PDE4BPDE4D
SCHEMBL4938299 0.92 PDE4B (0.49) PDE4BPDE4D
SCHEMBL4934455 0.92 PDE4B (0.51) PDE4BPDE4D
SCHEMBL4935569 0.91 PDE4B (0.52) PDE4BPDE4D
SCHEMBL4934390 0.90 PDE4B (0.60) PDE4BPDE4D
SCHEMBL4933610 0.89 PDE4B (0.52) PDE4BPDE4D
SCHEMBL4931233 0.88 PDE4B (0.65) PDE4B
SCHEMBL4927618 0.88 PDE4B (0.49) PDE4BPDE4D
SCHEMBL4933629 0.88 PDE4B (0.52) PDE4BPDE4D

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