SCHEMBL4437433

SCHEMBL4437433

Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccnc(N5CCC(O)C5I)c4)cc3n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.56
PIK3CA P42336 18/20 0.55
PIK3CD O00329 12/20 0.55
PIK3CB P42338 12/20 0.55
PIK3CG P48736 12/20 0.55
SYK P43405 1/20 0.55
MAP3K9 P80192 1/20 0.55
PIK3R1 P27986 1/20 0.48

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
SCHEMBL4437475 0.88 PIK3CA (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4447816 0.87 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4447812 0.87 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4436982 0.85 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4555583 0.83 PIK3CA (0.68) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4437541 0.80 MTOR (0.66) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4556001 0.79 PIK3CA (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4438246 0.78 MTOR (0.76) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4439741 0.78 MTOR (0.67) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4437471 0.78 MTOR (0.69) 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 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