SCHEMBL2946540

SCHEMBL2946540

CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)nn2c1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.49
AKT1 P31749 6/20 0.49
MTOR P42345 5/20 0.49
PIK3CB P42338 5/20 0.49
PIK3CD O00329 5/20 0.49
PIK3CG P48736 5/20 0.49
AKT2 P31751 1/20 0.45
AKT3 Q9Y243 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.40
RIPK1 Q13546 7/20 0.40
FYN P06241 1/20 0.39

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
SCHEMBL2924265 0.88 PIK3CA (0.52) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2926918 0.85 PIK3CA (0.53) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2920507 0.84 PIK3CA (0.51) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2923640 0.80 PIK3CA (0.50) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2917989 0.77 PIK3CA (0.65) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2923282 0.75 PIK3CA (0.49) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2927119 0.74 AKT1 (0.48) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2930380 0.74 PIK3CA (0.46) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2918526 0.74 PIK3CA (0.76) PIK3CAAKT1MTORPIK3CBPIK3CD
SCHEMBL2923077 0.73 PIK3CA (0.47) PIK3CAAKT1MTORPIK3CBPIK3CD

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-2231661-A1 INHIBITORS OF PI3 KINASE Amgen, Inc. (US) 2010-09-29 EP disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed