SCHEMBL7367748

SCHEMBL7367748

CCn1nc(-c2c(C(=O)O)cccc2-c2ccccc2)cc(Nc2cccc3nc(O)ccc23)c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.47
TP53 P04637 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7367744 0.81 PDE4B (0.45) PDE4BTP53ADORA2AADORA2BADORA1
SCHEMBL4052027 0.72 PDE4B (0.54) PDE4BMEN1KMT2AKDM4EALDH1A1
SCHEMBL7314230 0.70 PDE4B (0.52) PDE4BADORA2AADORA2BADORA1
SCHEMBL7304940 0.69 PDE4B (0.59) PDE4BADORA2AADORA2BADORA1
SCHEMBL7315199 0.69 PDE4B (0.49) PDE4BADORA2AADORA2BADORA1
SCHEMBL4049841 0.67 TBXAS1 (0.49) PDE4BADORA2AADORA2BADORA1MEN1
SCHEMBL7316189 0.67 PDE4B (0.57) PDE4BADORA2AADORA2BADORA1KDM4E
SCHEMBL7316210 0.66 PDE4B (0.58) PDE4BADORA2AADORA2BADORA1ALDH1A1
SCHEMBL4056450 0.66 PDE4B (0.46) PDE4BADORA2AADORA2BADORA1MEN1
SCHEMBL7306528 0.66 PDE4B (0.52) PDE4BADORA2AADORA2BADORA1MEN1

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-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