SCHEMBL5286907

SCHEMBL5286907

C[As](C)c1nc2sc3c(NCCCN4CCCC4=O)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.74
PDE4A P27815 13/20 0.74
PDE4D Q08499 13/20 0.74
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL4046981 0.90 PDE4B (0.77) PDE4BPDE4APDE4DMEN1ALDH1A1
SCHEMBL4045976 0.90 PDE4B (0.77) PDE4BPDE4APDE4DMEN1ALDH1A1
SCHEMBL4051584 0.89 PDE4B (0.75) PDE4BPDE4APDE4DMEN1ALDH1A1
SCHEMBL4047287 0.88 PDE4B (0.89) PDE4BPDE4APDE4DKMT2A
SCHEMBL4047953 0.87 PDE4B (0.72) PDE4BPDE4APDE4DMEN1ALDH1A1
SCHEMBL4045788 0.86 PDE4B (0.72) PDE4BPDE4APDE4DMEN1ALDH1A1
SCHEMBL4049199 0.86 PDE4B (0.85) PDE4BPDE4APDE4DALDH1A1KMT2A
SCHEMBL4046356 0.85 PDE4B (1.00) PDE4BPDE4APDE4DALDH1A1
SCHEMBL4046593 0.84 PDE4B (0.69) PDE4BPDE4APDE4DMEN1ALDH1A1
SCHEMBL4047110 0.84 PDE4B (0.73) PDE4BPDE4APDE4DMEN1ALDH1A1

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-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 WO disclosed