SCHEMBL5751376

SCHEMBL5751376

CCn1nc(-c2ccccc2)c(C#N)c(Nc2ccc(CO)cc2)c1=O.CCn1nc(-c2ccccc2)c(C#N)c(Nc2cccc(Cl)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
ADORA2A P29274 3/20 0.44
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
PARP1 P09874 2/20 0.42
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 4/20 0.41
ADORA1 P30542 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL5782757 0.92 PDE4B (0.41) PDE4BADORA2AACHEBACE1PARP1
SCHEMBL4050977 0.92 ADORA2A (0.48) PDE4BADORA2AACHEBACE1PARP1
SCHEMBL4052611 0.91 PDE4B (0.55) PDE4BADORA2ATDP1MAPTADORA1
SCHEMBL4050693 0.84 PDE4B (0.43) PDE4BADORA2AMAPTADORA1ALDH1A1
SCHEMBL4049559 0.81 PDE4B (0.44) PDE4BACHEBACE1MAPTADORA1
SCHEMBL4054494 0.81 PDE4B (0.56) PDE4BADORA2AACHEBACE1TDP1
SCHEMBL5747425 0.79 PDE4B (0.42) PDE4BMAPTADORA1L3MBTL1ALDH1A1
SCHEMBL4706084 0.78 PDE4B (0.62) PDE4BADORA2AACHEBACE1PARP1
SCHEMBL4709069 0.78 PDE4B (0.62) PDE4BACHEBACE1PARP1PDE4A
SCHEMBL5753107 0.78 PDE4B (0.39) PDE4BADORA1

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-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO disclosed