SCHEMBL4047643

SCHEMBL4047643

CCOC(=O)ON1CCN(CCNc2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)CC4)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.71
PDE4A P27815 10/20 0.71
PDE4D Q08499 10/20 0.71
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
ADRB2 P07550 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL4047929 0.91 PDE4B (0.74) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4052957 0.87 PDE4B (0.72) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4050912 0.87 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4045618 0.86 PDE4B (0.85) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047942 0.86 PDE4B (0.68) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047413 0.84 PDE4B (0.75) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4048564 0.84 PDE4B (0.75) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047905 0.83 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4045437 0.83 PDE4B (0.83) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4045699 0.81 PDE4B (0.71) PDE4BPDE4APDE4DKDM4EALDH1A1

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-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP claimed