SCHEMBL6168526

SCHEMBL6168526

CCn1nc(-c2ccccc2)c(C(=O)O)c(Nc2cccc(C#N)c2)c1=O.CCn1nc(-c2ccccc2)c(C(N)=O)c(Nc2cccc(C#N)c2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.55
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
TP53 P04637 2/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
CSF1R P07333 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4708464 0.97 PDE4B (0.55) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4708156 0.95 PDE4B (0.59) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4708376 0.89 PDE4B (0.66) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4708499 0.84 PDE4B (0.51) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL6166936 0.83 PDE4B (0.58) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL1652093 0.82 PDE4B (0.56) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4707585 0.81 PDE4B (0.55) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706135 0.81 PDE4B (0.62) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706084 0.81 PDE4B (0.62) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL6169793 0.81 PDE4B (0.56) PDE4BACHEBACE1PDE4APDE4C

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 claimed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO claimed