SCHEMBL171967

SCHEMBL171967

CCCN(C(C)=O)c1ccccc1NC(=O)Nc1nc2ccc(-c3cccc(C(C)=O)c3)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.51
TTK P33981 4/20 0.47
PIK3CD O00329 8/20 0.47
PIK3CA P42336 7/20 0.47
TDP2 O95551 1/20 0.43
PIK3CB P42338 1/20 0.41

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
SCHEMBL172059 0.76 PIK3CG (0.51) PIK3CGTTKPIK3CDPIK3CATDP2
SCHEMBL798967 0.75 PIK3CG (0.51) PIK3CGTTKPIK3CDPIK3CATDP2
SCHEMBL3098795 0.70 PIK3CG (0.80) PIK3CGTTKPIK3CDPIK3CATDP2
SCHEMBL3090168 0.70 PIK3CG (0.75) PIK3CGTTKPIK3CDPIK3CAPIK3CB
SCHEMBL3094019 0.69 PIK3CG (0.78) PIK3CGTTKPIK3CDPIK3CAPIK3CB
SCHEMBL3101636 0.69 PIK3CG (1.00) PIK3CGTTKPIK3CDPIK3CATDP2
SCHEMBL3091846 0.68 PIK3CG (0.80) PIK3CGTTKPIK3CDPIK3CAPIK3CB
SCHEMBL799223 0.68 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13154325 0.67 PIK3CG (0.76) PIK3CGTTKPIK3CDPIK3CATDP2
SCHEMBL3094738 0.66 PIK3CG (0.74) PIK3CGPIK3CDPIK3CAPIK3CB

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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed