SCHEMBL6972610

SCHEMBL6972610

COc1ccc(C(=O)Nc2cc(C3(N4CCOCC4)C=C(C(N)=O)C=CN3)ccc2C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.41
PDE4B Q07343 6/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
TOP2A P11388 1/20 0.41
TBK1 Q9UHD2 3/20 0.39
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6979960 0.91 CHEK2 (0.41) TOP2ATBK1KMT2A
SCHEMBL6975773 0.90 RAB9A (0.38) TOP2ATBK1MEN1ALDH1A1KMT2A
SCHEMBL6973782 0.86 TBK1 (0.36) TOP2ATBK1MEN1ALDH1A1KMT2A
SCHEMBL6972614 0.76 TBK1 (0.47) PDE4DPDE4BPDE4APDE4CTOP2A
SCHEMBL6477326 0.75 MAPK14 (0.54) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL7806485 0.74 MAPT (0.50) PDE4DPDE4BPDE4APDE4CTOP2A
SCHEMBL6972611 0.74 MAPK14 (0.57) MEN1ALDH1A1MAPTPKMKMT2A
SCHEMBL6486054 0.67 PDE4B (0.69) PDE4DPDE4BPDE4APDE4CTOP2A
SCHEMBL2972096 0.66 OPRK1 (0.58)
SCHEMBL6979964 0.66 CHEK2 (0.46) TOP2ATBK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed