SCHEMBL13850909

SCHEMBL13850909

COc1ccc(CCC2=CC=NCC2)c2cc(C#N)nn12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.39
PDE3A Q14432 1/20 0.30

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
SCHEMBL4129434 0.76 PDE4B (0.65) PDE4BPDE3A
SCHEMBL4113830 0.71 PDE4B (0.46) PDE4BPDE3A
SCHEMBL3225919 0.65 PDE4B (0.53) PDE4BPDE3A
SCHEMBL4133638 0.58 PDE4B (0.68) PDE4BPDE3A
SCHEMBL4127486 0.58 PDE4B (0.70) PDE4B
SCHEMBL4128642 0.58 PDE4B (0.52) PDE4B
SCHEMBL2963787 0.58 PDE4B (0.71) PDE4BPDE3A
SCHEMBL3210906 0.56 PDE4B (0.43) PDE4BPDE3A
SCHEMBL4128547 0.56 PDE4B (0.50) PDE4BPDE3A
SCHEMBL4122031 0.56 PDE4B (0.46) PDE4BPDE3A

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-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 EP disclosed