SCHEMBL4724356

SCHEMBL4724356

COc1cc(OC)cc(-c2nn(-c3cc(N4CCNC(=O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SOS1 Q07889 1/20 0.36
HSD11B1 P28845 1/20 0.35
PDE7A Q13946 3/20 0.34
F10 P00742 5/20 0.33
F2 P00734 3/20 0.33
LRRK2 Q5S007 2/20 0.33
MTOR P42345 1/20 0.33
UGCG Q16739 1/20 0.32
GAK O14976 1/20 0.32
TGFBR1 P36897 1/20 0.32
GRM7 Q14831 1/20 0.31
RIOK2 Q9BVS4 1/20 0.31
CXCR3 P49682 1/20 0.31

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
SCHEMBL4724195 0.88 F10 (0.42) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4724509 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4722495 0.87 F10 (0.44) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4722548 0.87 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DSOS1
SCHEMBL4722762 0.86 F10 (0.39) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4721093 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DHSD11B1
SCHEMBL4721967 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL14101702 0.83 F10 (0.40) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4766318 0.83 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4723702 0.83 ALK (0.40) PDE4APDE4BPDE4CPDE4D

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed