SCHEMBL15040591

SCHEMBL15040591

COc1ccc(-c2ccc3ncnc(-c4ccc(C)c(C(C)=O)c4)c3c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.58
PIK3CA P42336 10/20 0.58
PIK3CB P42338 9/20 0.58
PIK3CG P48736 9/20 0.58
KCNH2 Q12809 3/20 0.56
MTOR P42345 1/20 0.44
HDAC1 Q13547 1/20 0.42

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
SCHEMBL14880752 0.92 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883816 0.91 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880278 0.86 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880388 0.84 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182805 0.83 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883817 0.82 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883826 0.80 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182914 0.79 MKNK1 (0.64) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880326 0.79 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182967 0.78 PIK3CA (0.68) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2

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-2013088404-A1 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2013-06-20 WO disclosed