SCHEMBL7018514

SCHEMBL7018514

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 0.38
PDE5A O76074 4/20 0.37
P2RY12 Q9H244 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 2/20 0.36
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
KCNN3 Q9UGI6 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
SCHEMBL7018702 0.93 JAK2 (0.39) METJAK2JAK3PTK2PDE5A
SCHEMBL7015708 0.92 MET (0.39) METJAK2JAK3PTK2PDE5A
SCHEMBL7016414 0.92 PDE5A (0.41) METJAK2JAK3PTK2PDE5A
SCHEMBL7015295 0.91 MET (0.40) METJAK2JAK3PTK2PDE5A
SCHEMBL8179070 0.91 MAPT (0.45) METJAK2JAK3PTK2PDE5A
SCHEMBL7018675 0.90 MET (0.43) METJAK2JAK3PTK2
SCHEMBL7019661 0.89 ICAM1 (0.46) PDE5AP2RY12HRH4ALDH1A1KDM4E
SCHEMBL8178019 0.87 PDE4A (0.46) METJAK2JAK3PTK2PDE5A
SCHEMBL7009083 0.86 JAK2 (0.39) METJAK2JAK3PTK2PDE5A
SCHEMBL7016913 0.85 APP (0.40) PDE5AP2RY12ALDH1A1KDM4EHSD17B10

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