SCHEMBL2234560

SCHEMBL2234560

COc1ccc2c(Nc3c(Cl)cncc3Cl)c(CC=O)c(=O)[nH]c2c1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.54
PDE4D Q08499 14/20 0.54
PDE4A P27815 13/20 0.54
PDE4C Q08493 13/20 0.54

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
SCHEMBL729245 0.85 PDE4B (0.58) PDE4BPDE4DPDE4APDE4C
SCHEMBL14924574 0.80 PDE4B (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL730520 0.79 PDE4B (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL3676851 0.73 PDE4B (0.65) PDE4BPDE4DPDE4APDE4C
SCHEMBL728829 0.72 PDE4B (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL730996 0.72 PDE4B (0.61) PDE4BPDE4DPDE4APDE4C
SCHEMBL3681398 0.71 PDE4B (0.71) PDE4BPDE4DPDE4APDE4C
SCHEMBL3671130 0.71 PDE4B (0.70) PDE4BPDE4DPDE4APDE4C
SCHEMBL3676425 0.71 PDE4B (0.70) PDE4BPDE4DPDE4APDE4C
SCHEMBL6586279 0.70 PDE4B (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP disclosed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO disclosed
EP-2037924-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven P. (US) 2009-03-25 EP disclosed
WO-2008006050-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 WO disclosed