SCHEMBL6606573

SCHEMBL6606573

CCCCOc1cc(CC#N)ncc1OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
AR P10275 1/20 0.36
SMPD1 P17405 3/20 0.34
SRC P12931 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
ENPP1 P22413 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 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
SCHEMBL6608302 0.82 KDM4E (0.36) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6608422 0.81 PDE4B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6606686 0.81 PDE4B (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL6609628 0.80 PDE4B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6605638 0.80 SIGMAR1 (0.47)
SCHEMBL6606814 0.78 MDM2 (0.32) PDE4APDE4BPDE4CPDE4DPIK3CD
SCHEMBL6612948 0.77 CHEK1 (0.45)
SCHEMBL15142441 0.75 AXL (0.35) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6606419 0.75 MDM2 (0.36) SRC
SCHEMBL8354813 0.75 PDE4A (0.49) PDE3BPDE3APDE4APDE4BPDE4C

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