SCHEMBL2237470

SCHEMBL2237470

COc1ccc2c(Nc3c(Cl)cncc3Cl)ccnc2c1OCCCOCCOCCOCCO

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40

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
SCHEMBL2238693 0.82 PDE4B (0.50) PDE4B
SCHEMBL728524 0.80 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL728545 0.80 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL2234544 0.80 PDE4B (0.58) PDE4B
SCHEMBL2235723 0.80 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL9958385 0.79 PDE4B (0.57) PDE4B
SCHEMBL2239410 0.78 PDE4B (0.56) PDE4B
SCHEMBL2303094 0.78 PDE4B (0.56) PDE4B
SCHEMBL4365705 0.78 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL4379192 0.74 PDE4B (0.60) PDE4B

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 2 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