SCHEMBL7925249

SCHEMBL7925249

COc1ccc(-c2cncc(N)c2)n2nc(C3(C(=O)NCCS(C)(=O)=O)CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.54
PDE4A P27815 7/20 0.51

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
SCHEMBL7927936 0.89 PDE4D (0.61) PDE4D
SCHEMBL7927497 0.89 PDE4D (0.62) PDE4DPDE4A
SCHEMBL508386 0.89 PDE4D (0.63) PDE4DPDE4A
SCHEMBL7931014 0.84 PDE4D (0.60) PDE4D
SCHEMBL7931731 0.83 PDE4D (0.61) PDE4DPDE4A
SCHEMBL509634 0.83 PDE4D (0.66) PDE4D
SCHEMBL508889 0.83 PDE4D (0.60) PDE4D
SCHEMBL509529 0.83 PDE4D (0.76) PDE4D
SCHEMBL508065 0.81 PDE4D (0.60) PDE4DPDE4A
SCHEMBL509480 0.81 PDE4D (0.60) PDE4DPDE4A

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
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO disclosed