SCHEMBL15040806

SCHEMBL15040806

COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)I)c4)c3c2)cn1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.70
PIK3CA P42336 14/20 0.70
PIK3CB P42338 13/20 0.70
PIK3CG P48736 12/20 0.70
KCNH2 Q12809 6/20 0.70
MTOR P42345 2/20 0.49
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL14880326 0.91 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880809 0.86 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883816 0.83 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883855 0.83 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883865 0.82 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182718 0.82 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL182805 0.82 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883896 0.81 PIK3CD (0.84) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14880713 0.81 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL14883895 0.81 PIK3CD (0.74) 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