SCHEMBL4554168

SCHEMBL4554168

CN(C(=O)c1cccc(-c2cc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3s2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.61
MTOR P42345 10/20 0.61
PIK3CD O00329 8/20 0.52
PIK3CG P48736 7/20 0.52
PIK3CB P42338 7/20 0.52
PIK3R1 P27986 2/20 0.51
SYK P43405 1/20 0.48
MAP3K9 P80192 1/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC3 O15379 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4440759 0.88 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4436351 0.87 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4441251 0.86 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4438499 0.86 MTOR (0.65) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL17555331 0.85 MTOR (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL27943046 0.85 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4555883 0.85 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4439631 0.85 PIK3CA (0.77) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL17571365 0.83 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4436679 0.83 PIK3CA (0.87) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed