SCHEMBL583030

SCHEMBL583030

CCn1ncc2c(NC3CCN(C(=O)O)CC3)c(C3=NOC4(CCCC4)C3)cnc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.49
PDE7A Q13946 2/20 0.44
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 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
SCHEMBL583584 0.99 PDE4B (0.49) PDE4BPDE7APDE3BPDE3A
SCHEMBL582633 0.93 PDE4B (0.56) PDE4BPDE7APDE3BPDE3A
SCHEMBL582684 0.93 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL582406 0.93 PDE4B (0.51) PDE4BPDE7A
Bicarbonate SCHEMBL583719 0.92 PDE4B (0.51) PDE4BPDE7APDE3BPDE3A
Bicarbonate SCHEMBL583387 0.91 PDE4B (0.54) PDE4BPDE7A
Bicarbonate SCHEMBL582309 0.91 PDE4B (0.51) PDE4BPDE7APDE3BPDE3A
Bicarbonate SCHEMBL583625 0.91 PDE4B (0.54) PDE4BPDE7A
Bicarbonate SCHEMBL583024 0.90 PDE4B (0.51) PDE4BPDE7APDE3BPDE3A
SCHEMBL581991 0.90 PDE4B (0.46) PDE4BPDE7A

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