SCHEMBL6609684

SCHEMBL6609684

COc1cnc(C(C#N)=Cc2ccncc2F)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.40
PDE4B Q07343 4/20 0.40
PDE4D Q08499 4/20 0.40
PDE4C Q08493 2/20 0.40
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36
GPR6 P46095 1/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
IGF2R P11717 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
SCHEMBL6609677 1.00 PDE4A (0.40) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6609046 0.85 PDE4D (0.45) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6609041 0.85 PDE4D (0.45) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6609699 0.85 MEN1 (0.39) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6609704 0.85 MEN1 (0.39) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6605936 0.84 FFAR4 (0.36) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6605938 0.84 FFAR4 (0.36) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6605953 0.82 KDM4E (0.53) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6605947 0.82 KDM4E (0.53) PDE4APDE4BPDE4DPDE4CMEN1
SCHEMBL6611535 0.81 PDE4D (0.39) PDE4APDE4BPDE4DPDE4CMEN1

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