SCHEMBL3165205

SCHEMBL3165205

COc1ccc(C2=NN(CCCCOc3ccc(C4=NNOC4(C)C)c(F)c3F)C(=O)C2(C)C)c2sc(C(F)(F)F)nc12

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.83
PDE3A Q14432 16/20 0.83
NR1H2 P55055 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL2847545 0.91 PDE4B (1.00) PDE4BPDE3A
SCHEMBL2843550 0.85 PDE4B (1.00) PDE4BPDE3APSEN1PSEN2APH1B
SCHEMBL2845130 0.84 PDE4B (0.77) PDE4BPDE3A
SCHEMBL2852198 0.81 PDE4B (0.68) PDE4BPDE3A
SCHEMBL3122129 0.78 PDE4B (0.74) PDE4BPDE3A
SCHEMBL2842386 0.77 PDE4B (0.76) PDE4BPDE3A
SCHEMBL2844159 0.76 PDE4B (0.75) PDE4BPDE3A
SCHEMBL2851371 0.73 PDE4B (0.70) PDE4BPDE3A
SCHEMBL2845455 0.72 PDE4B (0.77) PDE4BPDE3A
SCHEMBL2844354 0.72 PDE4B (0.68) PDE4BPDE3A

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-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed