SCHEMBL4047413

SCHEMBL4047413

CCOC(=O)ON1CCN(CCNc2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CC(C)(C)CC4)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.75
PDE4A P27815 8/20 0.75
PDE4D Q08499 8/20 0.75
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
ADRB2 P07550 4/20 0.53
PKM P14618 1/20 0.52
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4046368 0.92 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4048564 0.89 PDE4B (0.75) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4052891 0.88 PDE4B (0.82) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046711 0.86 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047643 0.84 PDE4B (0.71) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5242434 0.84 PDE4B (0.74) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4052957 0.84 PDE4B (0.72) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4050117 0.80 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4052264 0.79 PDE4B (0.73) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4050675 0.76 PDE4B (0.61) 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