SCHEMBL7009083

SCHEMBL7009083

CCOC(=O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3c(C)c(C)sc3n2)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
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MET P08581 2/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 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
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL7015852 0.93 JAK2 (0.38) JAK2JAK3PTK2HRH4MET
SCHEMBL7017474 0.92 JAK2 (0.40) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL8180129 0.90 MAPT (0.45) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL7013520 0.88 JAK2 (0.39) JAK2JAK3PTK2HRH4MET
SCHEMBL7014106 0.88 HTT (0.41) JAK2JAK3PTK2ALDH1A1KDM4E
SCHEMBL7012439 0.88 ALDH1A1 (0.43) HRH4ALDH1A1KDM4EGAARXFP1
SCHEMBL7018702 0.88 JAK2 (0.39) JAK2JAK3PTK2HRH4MET
SCHEMBL7015708 0.87 MET (0.39) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL8179661 0.86 RHOA (0.43) JAK2JAK3PTK2HRH4ALDH1A1
SCHEMBL7015295 0.86 MET (0.40) JAK2JAK3PTK2HRH4MET

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