SCHEMBL751576

SCHEMBL751576

CCCNC(=O)c1ccc(Nc2nc3ccccn3c2-c2cc(N)nc(C)n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.54
MTOR P42345 15/20 0.54
PIK3CB P42338 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CG P48736 2/20 0.37

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
SCHEMBL749741 0.93 PIK3CA (0.55) PIK3CAMTOR
SCHEMBL750340 0.89 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL755730 0.88 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL751575 0.87 PIK3CA (0.55) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL749847 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL751862 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CB
SCHEMBL758618 0.80 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL2775861 0.79 PIK3CA (0.56) PIK3CAMTORPIK3CB
SCHEMBL2773726 0.79 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL749918 0.78 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CDPIK3CG

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-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed