SCHEMBL7013520

SCHEMBL7013520

CCOC(=O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3c(C)csc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MET P08581 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
RAB9A P51151 1/20 0.35
PDE5A O76074 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ABCB1 P08183 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL7014536 0.92 JAK2 (0.40) JAK2JAK3PTK2PDE4APDE4B
SCHEMBL8183177 0.90 MAPT (0.45) JAK2JAK3PTK2PDE4APDE4B
SCHEMBL7009083 0.88 JAK2 (0.39) JAK2JAK3PTK2PDE4APDE4B
SCHEMBL7016962 0.88 ESR1 (0.41) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL7015852 0.87 JAK2 (0.38) JAK2JAK3PTK2PDE4APDE4B
SCHEMBL7014106 0.87 HTT (0.41) JAK2JAK3PTK2MEN1MAPT
SCHEMBL8171096 0.86 RHOA (0.43) JAK2JAK3PTK2PDE4APDE4B
SCHEMBL7018702 0.86 JAK2 (0.39) JAK2JAK3PTK2PDE4APDE4B
SCHEMBL7015708 0.85 MET (0.39) JAK2JAK3PTK2PDE4APDE4B
SCHEMBL7016510 0.85 TP53 (0.40) PDE3BPDE3AMEN1KMT2APDE5A

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