SCHEMBL167955

SCHEMBL167955

Cc1nc(N)nc(-c2cc(C(C)C)cnc2Nc2cncc(F)c2)n1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.80
PIK3R1 P27986 7/20 0.68
MTOR P42345 4/20 0.68
PIK3CD O00329 1/20 0.59
PIK3CB P42338 1/20 0.59
PIK3CG P48736 1/20 0.59

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
SCHEMBL114658 0.89 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL169135 0.85 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL168251 0.81 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL116438 0.78 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL14806848 0.78 PIK3CA (0.79) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL160628 0.78 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL113892 0.75 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL116640 0.75 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL165719 0.74 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL168385 0.73 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed