SCHEMBL1959668

SCHEMBL1959668

Cc1ncc(-c2cc(N)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1CS(N)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
PIK3CG P48736 1/20 0.35
KMT2A Q03164 5/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
BRD4 O60885 2/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
HTT P42858 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX12 P18054 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MET P08581 1/20 0.31
PDPK1 O15530 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL1961103 0.89 HTR6 (0.36) HTR6PIK3CGKMT2AMAPTMEN1
SCHEMBL1958201 0.81 PIK3CG (0.48) HTR6PIK3CG
SCHEMBL1252454 0.78 HTR6 (0.40) HTR6KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL470192 0.77 NR1H2 (0.41) HTR6KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL12450255 0.75 HTR6 (0.45) HTR6KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL1118851 0.74 PIK3CG (0.52) PIK3CG
SCHEMBL1959987 0.73 PIK3CD (0.59) PIK3CG
SCHEMBL1118916 0.73 PIK3CG (0.51) PIK3CG
SCHEMBL1118792 0.73 PIK3CB (0.47) HTR6PIK3CG
SCHEMBL13570048 0.72 HTR6 (0.34) HTR6KMT2AMEN1BRD4HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507223-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-10-10 EP disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed