SCHEMBL6609617

SCHEMBL6609617

COc1cnc(C(C#N)=Cc2ccc(C#N)cc2)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
EGFR P00533 2/20 0.42
IGF1R P08069 1/20 0.42
IGF2R P11717 1/20 0.42
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL6609611 1.00 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL6606116 0.89 MAPT (0.47) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL6606109 0.89 MAPT (0.47) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL6609041 0.88 PDE4D (0.45) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL6609046 0.88 PDE4D (0.45) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL8519728 0.87 PDE4D (0.41) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL8519729 0.87 PDE4D (0.41) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL6605947 0.84 KDM4E (0.53) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL6605953 0.84 KDM4E (0.53) PDE4BPDE4APDE4CPDE4DEGFR
SCHEMBL6607729 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DEGFR

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