SCHEMBL4045300

SCHEMBL4045300

COc1cccc(CNc2ncnc3c2sc2nc(N(C)C)c4c(c23)C(C)(C)CC4)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.51
PDE4A P27815 8/20 0.47
PDE4D Q08499 8/20 0.47
KDM4E B2RXH2 4/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
RAD52 P43351 2/20 0.39
IDE P14735 1/20 0.39
MAPK1 P28482 1/20 0.39
UBE2N P61088 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRM4 P08173 2/20 0.38
ADRB2 P07550 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4049077 0.89 PDE4B (0.63) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4047003 0.81 ALDH1A1 (0.57) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4046383 0.81 PDE4B (0.54) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4053838 0.78 PDE4B (0.77) PDE4BPDE4APDE4DHTTRAD52
SCHEMBL4045640 0.76 PDE4B (0.75) PDE4BPDE4APDE4DRAD52RXFP1
SCHEMBL4047115 0.75 PDE4B (0.88) PDE4BPDE4APDE4DRXFP1ADRB2
SCHEMBL5011337 0.74 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4047105 0.74 PDE4B (0.52) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4048522 0.73 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4054593 0.73 POLB (0.49) 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 disclosed