SCHEMBL16613005

SCHEMBL16613005

Cc1nc(N)nc(-c2cc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2N2CSc3ccc(N)cc32)n1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.63
MTOR P42345 10/20 0.63
PIK3CD O00329 6/20 0.57
PIK3R1 P27986 6/20 0.57
PIK3CB P42338 6/20 0.57
PIK3CG P48736 6/20 0.57

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
SCHEMBL16612780 0.88 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL16612918 0.79 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL16613020 0.79 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL167337 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL167338 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL163063 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL163062 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL165621 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL115448 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL7774680 0.75 PIK3CA (0.86) PIK3CAMTORPIK3CDPIK3R1PIK3CB

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-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP claimed