SCHEMBL6609891

SCHEMBL6609891

COc1ccc(/C(C#N)=C/c2c(Cl)cncc2Cl)nc1OC1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.44
PDE4B Q07343 10/20 0.44
PDE4A P27815 8/20 0.44
PDE4C Q08493 8/20 0.44
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CHEK1 O14757 1/20 0.35
LRRK2 Q5S007 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL6609898 1.00 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CCNR1
SCHEMBL6611092 0.88 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL6611085 0.88 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL6608418 0.84 CHEK1 (0.35) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6605174 0.84 CHEK1 (0.35) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6609471 0.83 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6609466 0.83 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6606520 0.83 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6606526 0.83 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CCHEK1
SCHEMBL6606783 0.79 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CCNR1

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