SCHEMBL583650

SCHEMBL583650

Cn1ncc2c(NC3CCOCC3)c(C3=NOC4(CCCCCCCCC4)C3)cnc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.48
PDE7A Q13946 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL582552 0.99 PDE4B (0.48) PDE4BPDE7APDE3BPDE3A
SCHEMBL582474 0.97 PDE4B (0.48) PDE4BPDE7APDE3BPDE3A
SCHEMBL582373 0.88 PDE4B (0.53) PDE4BPDE7APDE3BPDE3A
SCHEMBL582148 0.88 PDE4B (0.54) PDE4BPDE7APDE3BPDE3A
SCHEMBL582284 0.88 PDE4B (0.50) PDE4BPDE7APDE3BPDE3A
SCHEMBL582512 0.88 PDE4B (0.38) PDE4BPDE7APDE3BPDE3A
SCHEMBL582996 0.87 PDE4B (0.54) PDE4BPDE7APDE3BPDE3A
SCHEMBL582856 0.87 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL582391 0.87 PDE4B (0.51) PDE4BPDE7APDE3BPDE3A
SCHEMBL582430 0.87 PDE4B (0.39) PDE4BPDE7APDE3BPDE3A

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