SCHEMBL5154490

SCHEMBL5154490

CCn1ncc2c(N[C@@H]3CCN(C(N)=O)C3)c(C(=O)NCc3ccc(C)cc3C)cnc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.62
NR3C1 P04150 3/20 0.62
PGR P06401 1/20 0.62
PDE4D Q08499 4/20 0.46

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
SCHEMBL4933760 1.00 PDE4B (0.62) PDE4BNR3C1PGRPDE4D
SCHEMBL4940848 0.96 PDE4B (0.63) PDE4BNR3C1PGRPDE4D
SCHEMBL4938225 0.89 PDE4B (0.54) PDE4BNR3C1PGRPDE4D
SCHEMBL4941218 0.89 PDE4B (0.57) PDE4BNR3C1PGRPDE4D
SCHEMBL4939623 0.88 PDE4B (0.64) PDE4BNR3C1PGRPDE4D
SCHEMBL4936746 0.88 PDE4B (0.64) PDE4BNR3C1PGRPDE4D
SCHEMBL4934361 0.88 PDE4B (0.64) PDE4BNR3C1PGRPDE4D
SCHEMBL5173840 0.87 PDE4B (0.58) PDE4BNR3C1PDE4D
SCHEMBL4938151 0.87 PDE4B (0.58) PDE4BNR3C1PDE4D
SCHEMBL4938493 0.86 PDE4B (0.57) PDE4BNR3C1PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740590-A1 PYRAZOLO [3,4- b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-10 EP disclosed
WO-2005090354-A1 PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed