SCHEMBL10705682

SCHEMBL10705682

[O-][S+]1CCN(c2nc3nc(N4CCNCC4)nc(N4CCOCC4)c3nc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.65
PDE4B Q07343 9/20 0.65
PDE4C Q08493 9/20 0.65
PDE4D Q08499 9/20 0.65
HTR2C P28335 1/20 0.37
POLB P06746 1/20 0.36
PIK3CA P42336 4/20 0.34
PIK3R1 P27986 3/20 0.34
MTOR P42345 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL10707421 1.00 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL10707242 0.93 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL10703598 0.91 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL10707531 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL10704091 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL10869451 0.82 CASP1 (0.46) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL10704532 0.81 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6397973 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL10709061 0.79 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL10661157 0.78 TSHR (0.44) PDE4APDE4BPDE4CPDE4DHTR2C

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