SCHEMBL7013393

SCHEMBL7013393

Cc1sc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PDE2A O00408 1/20 0.44
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 1/20 0.44
CHRM4 P08173 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
GPR35 Q9HC97 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 5/20 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
SCHEMBL7021049 0.95 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7014878 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7011351 0.92 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL8179286 0.90 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7017154 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7020121 0.88 GAA (0.41) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7018515 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7014926 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7011772 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL8179868 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE2A

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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed