SCHEMBL7008973

SCHEMBL7008973

CCOC(=O)OC1CCN(c2nc(NCc3ccccc3)c3c(Cl)c(C)sc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
HTR3A P46098 1/20 0.40
CTNNB1 P35222 8/20 0.39
TCF7L2 Q9NQB0 8/20 0.39
PDE5A O76074 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
SLC26A6 Q9BXS9 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL7013874 0.93 KDM4E (0.43) KMT2AHRH4CTNNB1TCF7L2KDM4E
SCHEMBL7013850 0.92 EPHX2 (0.43) EPHX2HRH4HTR3ACTNNB1TCF7L2
SCHEMBL7012439 0.92 ALDH1A1 (0.43) KMT2AEPHX2HRH4PDE5AMEN1
SCHEMBL7018206 0.90 KMT2A (0.40) KMT2AHRH4CTNNB1TCF7L2PDE5A
SCHEMBL8181495 0.88 MAPT (0.48) KMT2AEPHX2CTNNB1TCF7L2MEN1
SCHEMBL7015852 0.88 JAK2 (0.38) KMT2AHRH4PDE5APDE4APDE4B
SCHEMBL7014917 0.88 PDE5A (0.41) KMT2APDE5AMEN1
SCHEMBL7017615 0.87 PDE5A (0.46) PDE5A
SCHEMBL7018811 0.86 PDE4A (0.45) KMT2ACTNNB1TCF7L2PDE5AMEN1
SCHEMBL7018175 0.86 PDE4A (0.50) KMT2ACTNNB1TCF7L2PDE5AMEN1

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