SCHEMBL4445317

SCHEMBL4445317

CC(O)[C@@H](I)S(=O)(=O)c1cccc(-c2cc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.66
PIK3CA P42336 18/20 0.56
PIK3CB P42338 9/20 0.56
PIK3CD O00329 9/20 0.56
PIK3CG P48736 9/20 0.56
PIK3R1 P27986 1/20 0.49
SYK P43405 1/20 0.47
MAP3K9 P80192 1/20 0.47

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
SCHEMBL4434114 0.87 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4447550 0.87 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL5109764 0.87 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4446923 0.87 MTOR (0.86) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4443689 0.87 MTOR (0.74) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4439954 0.85 MTOR (0.72) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4445535 0.85 MTOR (0.71) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4433930 0.84 MTOR (0.60) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4446954 0.82 MTOR (0.59) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL27943062 0.82 MTOR (0.59) MTORPIK3CAPIK3CBPIK3CDPIK3CG

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