SCHEMBL7018702

SCHEMBL7018702

CCOC(=O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3cc(C)sc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
MET P08581 4/20 0.39
PDE5A O76074 6/20 0.38
HRH4 Q9H3N8 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL7015708 0.93 MET (0.39) JAK2JAK3PTK2METPDE5A
SCHEMBL7018514 0.93 MET (0.38) JAK2JAK3PTK2METPDE5A
SCHEMBL7015295 0.93 MET (0.40) JAK2JAK3PTK2METPDE5A
SCHEMBL7020117 0.92 PDE5A (0.42) JAK2JAK3PTK2METPDE5A
SCHEMBL7018675 0.92 MET (0.43) JAK2JAK3PTK2METKMT2A
SCHEMBL8181603 0.90 MAPT (0.46) JAK2JAK3PTK2METPDE5A
SCHEMBL7017246 0.88 HRH4 (0.44) PDE5AHRH4CTNNB1TCF7L2MAPT
SCHEMBL7009083 0.88 JAK2 (0.39) JAK2JAK3PTK2METPDE5A
SCHEMBL7015852 0.86 JAK2 (0.38) JAK2JAK3PTK2METPDE5A
SCHEMBL8181867 0.86 PDE4A (0.45) JAK2JAK3PTK2METPDE5A

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