SCHEMBL7309937

SCHEMBL7309937

CCOC(=O)c1cccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c(=O)n(CC)n3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.58
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CDC25B P30305 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7309800 0.95 PDE4B (0.65) PDE4BMEN1KMT2APOLBMAPT
SCHEMBL7314230 0.90 PDE4B (0.52) PDE4BADORA2AADORA2BADORA1
SCHEMBL7308904 0.89 PDE4B (0.56) PDE4BMEN1KMT2AADORA2AADORA2B
SCHEMBL7316395 0.87 PDE4B (0.52) PDE4BLMNAADORA2AADORA2BADORA1
SCHEMBL7304940 0.86 PDE4B (0.59) PDE4BADORA2AADORA2BADORA1
SCHEMBL7304693 0.86 PDE4B (0.47) PDE4BMEN1KMT2AADORA2AADORA2B
SCHEMBL7316781 0.85 PDE4B (0.48) PDE4BMEN1KMT2APOLBADORA2A
SCHEMBL7310969 0.85 PDE4B (0.49) PDE4BMEN1KMT2ASMN1; SMN2ADORA2A
SCHEMBL7306806 0.84 PDE4B (0.62) PDE4BADORA2AADORA2BADORA1
SCHEMBL7307576 0.84 PDE4B (0.48) PDE4BMEN1KMT2AADORA2AADORA2B

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-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed