SCHEMBL4722548

SCHEMBL4722548

COc1cc(OC)cc(-c2nn(-c3cc(N4CCN(C)C(=O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SOS1 Q07889 2/20 0.36
F10 P00742 8/20 0.34
F2 P00734 3/20 0.34
EPHX2 P34913 1/20 0.33
UGCG Q16739 1/20 0.33
NOTUM Q6P988 1/20 0.32
CXCR3 P49682 2/20 0.32
GRM7 Q14831 1/20 0.32
DCTPP1 Q9H773 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 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 0.90 F10 (0.42) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4724509 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4722495 0.89 F10 (0.44) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4722762 0.87 F10 (0.39) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4724356 0.87 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DSOS1
SCHEMBL4723702 0.86 ALK (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL4766663 0.85 F10 (0.44) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4721093 0.85 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL14101702 0.85 F10 (0.40) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4721967 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DF10

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