SCHEMBL1695221

SCHEMBL1695221

CC(C)c1cc(CNC(=O)c2cc3c(F)cccc3nc2CCNc2ncnc(N)c2C#N)on1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.39
PIK3CB P42338 14/20 0.39
PIK3CG P48736 14/20 0.39
PIK3CA P42336 13/20 0.39
PIK3R2 O00459 4/20 0.37
CYP3A4 P08684 4/20 0.37
SLC5A7 Q9GZV3 2/20 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
SCHEMBL10147632 0.86 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695220 0.86 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695305 0.85 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695223 0.85 MAPK8 (0.43) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL1695017 0.84 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695407 0.84 PIK3R2 (0.37) PIK3CDPIK3CGPIK3R2SLC5A7
SCHEMBL1695022 0.84 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1695234 0.83 PIK3CD (0.41) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2
SCHEMBL1694838 0.82 KDM4E (0.42) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1695256 0.82 PIK3CD (0.40) PIK3CDPIK3CBPIK3CGPIK3CAPIK3R2

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