SCHEMBL7145891

SCHEMBL7145891

COC(CN/C(=N/C#N)NCC(C)c1ccc(OC(F)F)c(OC2CCOC2)c1)OC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.47
PDE4B Q07343 12/20 0.46
PDE4A P27815 8/20 0.42
PDE4C Q08493 8/20 0.42
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL7145895 1.00 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CTBK1
SCHEMBL7150876 0.93 PDE4B (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL7150864 0.93 PDE4B (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL7144823 0.89 PDE4B (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7144816 0.89 PDE4B (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7145904 0.87 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CTBK1
SCHEMBL7147616 0.83 PDE4B (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL7147615 0.83 PDE4B (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL7146082 0.81 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL7146075 0.81 PDE4B (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934280-B1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-09 EP disclosed