SCHEMBL17555331

SCHEMBL17555331

CN(c1cccc(-c2cc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3s2)c1)[SH](=O)=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.61
PIK3CA P42336 19/20 0.57
PIK3CD O00329 8/20 0.55
PIK3CB P42338 8/20 0.55
PIK3CG P48736 7/20 0.55
PIK3R1 P27986 3/20 0.54
SYK P43405 1/20 0.49
MAP3K9 P80192 1/20 0.49
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL17555343 0.93 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4438499 0.86 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4437617 0.85 MTOR (0.64) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4554168 0.85 PIK3CA (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4438164 0.85 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4445535 0.85 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4436351 0.84 PIK3CA (0.68) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4441280 0.84 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4446923 0.83 MTOR (0.86) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4443689 0.83 MTOR (0.74) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP claimed