SCHEMBL19003150

SCHEMBL19003150

CN(C)C(=N)c1ccc(-c2nc(N3CCOCC3)c3nc4n(c3n2)CCOC4(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.65
MTOR P42345 2/20 0.65
PIK3CD O00329 1/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
RPTOR Q8N122 1/20 0.65
MLST8 Q9BVC4 1/20 0.65
MAP3K12 Q12852 18/20 0.55

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
SCHEMBL10239918 0.89 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL19003125 0.86 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL10239165 0.85 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16306628 0.84 MTOR (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL10261325 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL10267850 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL25935809 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16306630 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL10267851 0.83 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL10239930 0.82 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978500-B1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS GENENTECH INC (US) 2023-11-22 EP disclosed
EP-3389662-B1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-12-01 EP disclosed
WO-2017106647-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-06-22 WO disclosed