SCHEMBL6605364

SCHEMBL6605364

COc1ncc(C(C#N)=Cc2c(Cl)cncc2Cl)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.43
PDE4B Q07343 11/20 0.43
PDE4A P27815 10/20 0.43
PDE4C Q08493 10/20 0.43
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
CHEK1 O14757 1/20 0.35
RPS6KA3 P51812 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 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
SCHEMBL6605361 1.00 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL6606666 0.91 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL6606669 0.91 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL6609424 0.89 CHEK1 (0.35) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL6606975 0.89 CHEK1 (0.35) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL6611998 0.88 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL6611995 0.88 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL6607223 0.87 PDE4B (0.38) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL6607216 0.87 PDE4B (0.38) PDE4DPDE4BPDE4APDE4CRECQL
SCHEMBL6609780 0.84 PDE4B (0.44) PDE4DPDE4BPDE4APDE4CRECQL

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 3 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
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed