SCHEMBL7022657

SCHEMBL7022657

Cc1cc2c(NCCc3ccc4c(c3)OCO4)nc(N3CCC(OC(=O)O)CC3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE5A O76074 3/20 0.45
PDE2A O00408 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
KDM4E B2RXH2 6/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCDIN3D Q7Z5W3 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
SCHEMBL7013552 0.92 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7009748 0.92 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7020070 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019844 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8182179 0.90 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7017528 0.89 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7011629 0.88 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7019721 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018515 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178238 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A

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