SCHEMBL1695242

SCHEMBL1695242

CNC(=O)c1cc2cccc(Cl)c2nc1CCNc1ncnc(N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 15/20 0.39
PIK3CD O00329 11/20 0.38
PIK3CG P48736 5/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CDK1 P06493 1/20 0.38
CYP3A4 P08684 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL1695135 0.92 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CGMAPK13MAPK12
SCHEMBL1694949 0.91 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1695420 0.91 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CGCYP3A4PIK3CA
SCHEMBL1695343 0.90 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CGMAPK13MAPK12
SCHEMBL1695309 0.89 MAPK8 (0.43) PIK3R2PIK3CDPIK3CG
SCHEMBL1695362 0.89 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CG
SCHEMBL1694834 0.87 PIK3R2 (0.40) PIK3R2PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1694771 0.87 HPGD (0.44) PIK3CDCYP3A4
SCHEMBL1694990 0.87 PTGES (0.38) PIK3R2PIK3CDPIK3CG
SCHEMBL1695013 0.86 PTGES (0.41) PIK3R2PIK3CDPIK3CG

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-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed