SCHEMBL6605613

SCHEMBL6605613

COc1cnc(/C(C#N)=C/c2c(Cl)cncc2Cl)cc1OC1CC2CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.50
PDE4B Q07343 10/20 0.50
PDE4C Q08493 10/20 0.50
PDE4D Q08499 10/20 0.50
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
SCN9A Q15858 4/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
BRS3 P32247 2/20 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
SCHEMBL6609815 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL6608573 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL6609416 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL6609414 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL6610689 0.83 CHEK1 (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL6605787 0.79 CNR2 (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL6605781 0.79 CNR2 (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL6609471 0.79 PDE4D (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL6609466 0.79 PDE4D (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL6612839 0.78 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D

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