SCHEMBL6611998

SCHEMBL6611998

COc1ncc(C(C#N)=Cc2c(Cl)cncc2Cl)cc1OC1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.39
PDE4A P27815 7/20 0.39
PDE4B Q07343 7/20 0.39
PDE4C Q08493 7/20 0.39
CHEK1 O14757 2/20 0.37
SCN9A Q15858 1/20 0.35
PIK3CA P42336 2/20 0.35
EGFR P00533 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TNF P01375 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
SCHEMBL6611995 1.00 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL6605364 0.88 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL6605361 0.88 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL6609424 0.85 CHEK1 (0.35) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL6606975 0.85 CHEK1 (0.35) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL6609466 0.83 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL6609471 0.83 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL6607216 0.83 PDE4B (0.38) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6607223 0.83 PDE4B (0.38) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6609780 0.80 PDE4B (0.44) PDE4DPDE4APDE4BPDE4CEGFR

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