SCHEMBL7014536

SCHEMBL7014536

Cc1csc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3cccc([N+](=O)[O-])c3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
PTK2 Q05397 2/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL7013520 0.92 JAK2 (0.39) JAK2JAK3PTK2MAPTMEN1
SCHEMBL8171096 0.90 RHOA (0.43) JAK2JAK3PTK2MAPTMEN1
SCHEMBL7018707 0.88 ESR1 (0.44) MAPTHRH4DRD3KDM4EPDE5A
SCHEMBL7017474 0.88 JAK2 (0.40) JAK2JAK3PTK2HRH4PGR
SCHEMBL7018546 0.87 JAK2 (0.40) JAK2JAK3PTK2HRH4PGR
SCHEMBL8183177 0.87 MAPT (0.45) JAK2JAK3PTK2MAPTKMT2A
SCHEMBL7020117 0.85 PDE5A (0.42) JAK2JAK3PTK2MAPTMEN1
SCHEMBL7014043 0.84 RNASEL (0.41) JAK2JAK3PTK2MAPTMEN1
SCHEMBL7022471 0.84 TP53 (0.41) PDE5A
SCHEMBL7018352 0.83 ESR1 (0.44) HRH4PDE5APDE4APDE4BPDE4C

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