SCHEMBL6609815

SCHEMBL6609815

COc1ccc(/C(C#N)=C/c2c(Cl)cncc2Cl)nc1OC1CC2CCC1C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.46
PDE4B Q07343 10/20 0.46
PDE4C Q08493 10/20 0.46
PDE4D Q08499 10/20 0.46
SCN9A Q15858 3/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BRS3 P32247 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL6605613 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSCN9A
SCHEMBL6611092 0.83 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL6611085 0.83 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL6605174 0.82 CHEK1 (0.35) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL6608418 0.82 CHEK1 (0.35) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL6609891 0.79 PDE4D (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL6609898 0.79 PDE4D (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL6606520 0.79 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL6606526 0.79 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL6606787 0.79 PDE4D (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1

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-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed