SCHEMBL7015852

SCHEMBL7015852

CCOC(=O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3c(Cl)c(C)sc3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 0.38
PDE5A O76074 3/20 0.37
MET P08581 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
ABCB1 P08183 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL7009083 0.93 JAK2 (0.39) JAK2JAK3PTK2PDE5AMET
SCHEMBL7018546 0.93 JAK2 (0.40) JAK2JAK3PTK2PDE5AKCNN3
SCHEMBL8179116 0.90 MAPT (0.44) JAK2JAK3PTK2PDE5AKCNN3
SCHEMBL7008973 0.88 KMT2A (0.42) PDE5AHRH4KMT2APDE4APDE4B
SCHEMBL7015295 0.88 MET (0.40) JAK2JAK3PTK2PDE5AMET
SCHEMBL7013520 0.87 JAK2 (0.39) JAK2JAK3PTK2PDE5AMET
SCHEMBL7014106 0.87 HTT (0.41) JAK2JAK3PTK2KCNH2KMT2A
SCHEMBL8180193 0.87 PDE4A (0.43) JAK2JAK3PTK2PDE5AKCNN3
SCHEMBL7018702 0.86 JAK2 (0.39) JAK2JAK3PTK2PDE5AMET
SCHEMBL7017474 0.86 JAK2 (0.40) JAK2JAK3PTK2PDE5AMET

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