SCHEMBL5127879

SCHEMBL5127879

COc1ccc2cc(Nc3c(Cl)cncc3Cl)c(=O)oc2c1O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.51
MCL1 Q07820 1/20 0.46
PDE4D Q08499 4/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42

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
SCHEMBL3674705 0.82 PDE4B (0.69) PDE4BMCL1
SCHEMBL3676882 0.72 PDE4B (0.76) PDE4BPDE4D
SCHEMBL729197 0.71 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL3683301 0.68 PDE4B (0.70) PDE4BPDE4DPDE4APDE4C
SCHEMBL3673103 0.68 PDE4B (0.82) PDE4BPDE4DPDE4APDE4C
SCHEMBL3678587 0.68 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL3678464 0.68 PDE4B (0.86) PDE4BPDE4DPDE4APDE4C
SCHEMBL3681574 0.68 PDE4B (0.88) PDE4BPDE4DPDE4APDE4C
SCHEMBL3676425 0.67 PDE4B (0.70) PDE4BPDE4DPDE4APDE4C
SCHEMBL3678716 0.67 PDE4B (0.82) PDE4BPDE4DPDE4APDE4C

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-2008006051-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 WO disclosed