SCHEMBL7415853

SCHEMBL7415853

COC(CN(CCc1ccc(OC(F)F)c(OC2CCCC2)c1)C(N)=NC#N)OC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.40
PDE4B Q07343 10/20 0.40
PDE4A P27815 10/20 0.40
PDE4C Q08493 7/20 0.40
MAPK14 Q16539 1/20 0.34
RECQL P46063 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7415851 1.00 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7382241 0.84 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CKCNH2
SCHEMBL7382238 0.84 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CKCNH2
SCHEMBL7415859 0.83 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7379526 0.77 PDE4B (0.46) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7379523 0.77 PDE4B (0.46) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7148144 0.77 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7148139 0.77 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL7381447 0.74 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL7381452 0.74 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C

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-0934280-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-08-11 EP disclosed
WO-1998014432-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-09 WO disclosed