SCHEMBL5402837

SCHEMBL5402837

Cc1cc(S(=O)(=O)N2CCOCC2)cc2c(Nc3cccc(C#N)c3)c(C(N)=O)cnc12.Cc1cc(S(=O)(=O)N2CCOCC2)cc2c(Nc3cccc(F)c3)c(C(N)=O)cnc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.68
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CSF1R P07333 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL4625955 0.96 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL4627505 0.93 PDE4B (0.60) PDE4BMEN1KMT2ACSF1RALDH1A1
SCHEMBL4627527 0.86 PDE4B (0.62) PDE4BCSF1RALDH1A1
SCHEMBL4626888 0.84 PDE4B (0.60) PDE4BKMT2ACSF1RALDH1A1HTT
SCHEMBL4626932 0.84 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL1275345 0.81 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL4627712 0.81 PDE4B (0.54) PDE4BMEN1KMT2ACSF1RALDH1A1
SCHEMBL4627499 0.80 PDE4B (0.74) PDE4BCSF1RALDH1A1
SCHEMBL5319163 0.79 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DCSF1R
SCHEMBL1276135 0.79 PDE4B (0.75) PDE4BCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007506703-A 2007-03-22 JP claimed
EP-1673086-A1 4-AMINOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-28 EP claimed
WO-2005030212-A1 4-AMINOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-07 WO claimed