SCHEMBL6606929

SCHEMBL6606929

COc1ncc(CC#N)cc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.39
PDGFRA P16234 3/20 0.39
PDE4A P27815 9/20 0.38
PDE4B Q07343 7/20 0.38
PDE4D Q08499 5/20 0.38
PDE4C Q08493 4/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.36
PIK3CG P48736 1/20 0.36
ATR Q13535 1/20 0.35

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
SCHEMBL6607109 0.82 RECQL (0.44) PDGFRBPDGFRAPDE4APDE4BPDE4D
SCHEMBL6608115 0.82 PDGFRB (0.45) PDGFRBPDGFRAPDE4APDE4BPDE4D
SCHEMBL3170776 0.77 PDE4B (0.53) PDE4APDE4BPDE4DPDE4CRECQL
SCHEMBL6605575 0.75 PDE4B (0.44) PDGFRBPDGFRAPDE4APDE4BPDE4D
SCHEMBL1924124 0.71 FLT3 (0.37) LMNAPIK3CG
SCHEMBL72986 0.70 KMT2A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL7356246 0.69 PDE4D (0.46) PDE4APDE4BPDE4DPDE4C
SCHEMBL71189 0.69 PDE4D (0.46) PDE4APDE4BPDE4DPDE4C
SCHEMBL6606160 0.69 PDE4B (0.40) PDGFRBPDGFRAPDE4APDE4BPDE4D
SCHEMBL6606157 0.69 PDE4B (0.40) PDGFRBPDGFRAPDE4APDE4BPDE4D

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