SCHEMBL10709797

SCHEMBL10709797

COc1nc2c(N3CC[S+]([O-])CC3)nc(N3CCNCC3)nc2nc1NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.61
PDE4B Q07343 12/20 0.61
PDE4C Q08493 12/20 0.61
PDE4D Q08499 12/20 0.61
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
KHK P50053 1/20 0.42
ACHE P22303 1/20 0.41
HTR6 P50406 1/20 0.41
ROCK1 Q13464 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CDK5 Q00535 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
SCHEMBL3539405 0.90 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL10707518 0.87 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL10708087 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL10705286 0.84 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL10869099 0.80 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DKHK
SCHEMBL10660828 0.79 KHK (0.61) PDE4APDE4BPDE4CPDE4DKHK
SCHEMBL10871139 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL291798 0.76 PDE4A (0.96) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL29824397 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL292710 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCCNE1

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-0134922-B1 2-PIPERAZINO-PTERIDINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1988-12-14 EP disclosed
US-4560685-A 2-Piperazino-pteridines useful as antithrombotics and antimetastatics DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-12-24 US disclosed
EP-0134922-A1 2-Piperazino-pteridines, processes for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-03-27 EP disclosed