SCHEMBL582909

SCHEMBL582909

CCn1ncc2c(NC3CCCCC3)c(C3=NOC4(CCC(OC(=O)O)CC4)C3)cnc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.51
PDE7A Q13946 1/20 0.48
PDE4D Q08499 5/20 0.40

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
SCHEMBL582885 0.93 PDE4B (0.53) PDE4BPDE7A
SCHEMBL583211 0.93 PDE4B (0.52) PDE4BPDE7APDE4D
SCHEMBL583203 0.92 PDE4B (0.44) PDE4BPDE7A
Bicarbonate SCHEMBL583893 0.92 PDE4B (0.51) PDE4BPDE7APDE4D
SCHEMBL583732 0.92 PDE4B (0.43) PDE4BPDE7A
Bicarbonate SCHEMBL583236 0.92 PDE4B (0.53) PDE4BPDE7APDE4D
Bicarbonate SCHEMBL583625 0.90 PDE4B (0.54) PDE4BPDE7APDE4D
Bicarbonate SCHEMBL583387 0.90 PDE4B (0.54) PDE4BPDE7APDE4D
Bicarbonate SCHEMBL583185 0.90 PDE4B (0.54) PDE4BPDE7APDE4D
SCHEMBL582555 0.90 PDE4B (0.51) PDE4BPDE7APDE4D

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-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP claimed