SCHEMBL6611535

SCHEMBL6611535

COc1cnc(C(C#N)=Cc2ccnc3ccccc23)cc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.39
PDE4B Q07343 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
IGF2R P11717 1/20 0.38
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37

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
SCHEMBL6611527 1.00 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6610126 0.83 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6610132 0.83 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6606109 0.82 MAPT (0.47) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6606116 0.82 MAPT (0.47) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6609684 0.81 PDE4A (0.40) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6609677 0.81 PDE4A (0.40) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6607995 0.80 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6607991 0.80 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL6607729 0.80 PDE4B (0.44) PDE4DPDE4BPDE4APDE4CMAPT

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