SCHEMBL11023685

SCHEMBL11023685

[O-][S+]1CCN(c2nc(NCCO)nc3c(NCCc4ccccc4)ncnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SLC29A1 Q99808 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
TMIGD3 P0DMS9 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2B P29275 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SGK1 O00141 1/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11048920 0.94 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11062725 0.94 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL2459746 0.91 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11041201 0.90 SLC29A1 (0.52) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11048555 0.87 ACHE (0.47) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11028726 0.87 OGA (0.53) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11029770 0.86 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL10660880 0.85 NPSR1 (0.43) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11025105 0.85 SLC29A1 (0.47) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11029641 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSLC29A1

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
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP disclosed