SCHEMBL12813245

SCHEMBL12813245

CCc1c(Cl)cc(C(C)=O)c(OC)c1-c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.38
PIK3C3 Q8NEB9 1/20 0.36
PIK3CG P48736 5/20 0.35
PDE4D Q08499 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 3/20 0.32
PDE4B Q07343 1/20 0.32
KDM1A O60341 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PTGS2 P35354 3/20 0.32
CYP11B2 P19099 1/20 0.31
PPARG P37231 1/20 0.31
USP28 Q96RU2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL12813030 0.86 PIK3CD (0.49) PIK3CDPIK3C3PIK3CGPIK3CAPIK3CB
SCHEMBL12813247 0.81 PIK3CD (0.38) PIK3CDPIK3C3PIK3CGPIK3CAPIK3CB
SCHEMBL9928787 0.78 PIK3C3 (0.38) PIK3CDPIK3C3PIK3CGPDE4DPIK3CA
SCHEMBL9929002 0.72 PIK3C3 (0.40) PIK3CDPIK3C3PIK3CGPIK3CAPIK3CB
SCHEMBL12813032 0.67 PIK3CD (0.48) PIK3CDPIK3C3PIK3CGPIK3CAPIK3CB
SCHEMBL22047639 0.67 IMPDH2 (0.40) MEN1MAPTHTTKMT2A
SCHEMBL12813269 0.67 PIK3CD (0.49) PIK3CDPIK3C3PIK3CGPIK3CAPIK3CB
SCHEMBL23074488 0.66 ALDH1A1 (0.36) MEN1MAPTHTTKMT2A
SCHEMBL12813267 0.65 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL9929352 0.62 HSP90AA1 (0.38) MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012135009-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-10-04 WO disclosed