SCHEMBL4723271

SCHEMBL4723271

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
F10 P00742 6/20 0.38
FGFR2 P21802 4/20 0.35
FGFR3 P22607 4/20 0.35
PTGS2 P35354 3/20 0.34
FGFR1 P11362 2/20 0.34
GRM7 Q14831 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
F2 P00734 3/20 0.33
PTGS1 P23219 1/20 0.32

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
SCHEMBL4722014 0.94 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4721150 0.91 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4719764 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL4720223 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DFGFR2
SCHEMBL4719190 0.88 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL14101992 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DFGFR2
SCHEMBL4720114 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL4764994 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4720922 0.87 F10 (0.39) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4722274 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPTGS2

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