SCHEMBL6166939

SCHEMBL6166939

CCn1nc(-c2cccc(C(=O)OC(=O)c3c(-c4ccccc4)nn(CC)c(=O)c3Nc3cccc(C#N)c3)c2)c(C(C)=O)c(Nc2cc(F)cc(F)c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MCHR1 Q99705 1/20 0.33
KCNK3 O14649 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6166936 0.91 PDE4B (0.58) PDE4BACHEBACE1POLBALDH1A1
SCHEMBL4707984 0.86 PDE4B (0.55) PDE4BACHEBACE1ALDH1A1MEN1
SCHEMBL4708376 0.86 PDE4B (0.66) PDE4BACHEBACE1POLBALDH1A1
SCHEMBL4706044 0.84 PDE4B (0.55) PDE4BACHEBACE1POLBALDH1A1
SCHEMBL4707585 0.83 PDE4B (0.55) PDE4BACHEBACE1POLBALDH1A1
SCHEMBL4706104 0.81 PDE4B (0.68) PDE4B
SCHEMBL4705746 0.81 PDE4B (0.72) PDE4BACHEBACE1TP53MAPT
SCHEMBL6169793 0.80 PDE4B (0.56) PDE4BACHEBACE1POLBALDH1A1
SCHEMBL4708156 0.80 PDE4B (0.59) PDE4BACHEBACE1POLBALDH1A1
SCHEMBL4706107 0.80 PDE4B (0.70) PDE4BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO disclosed