SCHEMBL1695407

SCHEMBL1695407

CC(C)c1cc(CNC(=O)c2cc3cccc(Cl)c3nc2CCNc2ncnc(N)c2C#N)on1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 12/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CG P48736 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SLC5A7 Q9GZV3 3/20 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
SCHEMBL10146903 0.86 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CG
SCHEMBL1695404 0.86 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CG
SCHEMBL1695135 0.85 PIK3R2 (0.43) PIK3R2PIK3CDPIK3CG
SCHEMBL1695242 0.84 PIK3R2 (0.39) PIK3R2PIK3CDPIK3CG
SCHEMBL1695221 0.84 PIK3CD (0.39) PIK3R2PIK3CDPIK3CGSLC5A7
SCHEMBL1695309 0.84 MAPK8 (0.43) PIK3R2PIK3CDPIK3CG
SCHEMBL1695420 0.84 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CG
SCHEMBL1695343 0.83 PIK3R2 (0.41) PIK3R2PIK3CDPIK3CG
SCHEMBL1694771 0.82 HPGD (0.44) PIK3CDNPC1RAB9A
SCHEMBL1694949 0.81 PIK3R2 (0.39) 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