SCHEMBL18660599

SCHEMBL18660599

Nc1ccc(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.55
PIK3CA P42336 18/20 0.55
PIK3R1 P27986 2/20 0.54
PIK3CG P48736 8/20 0.51
PIK3CD O00329 2/20 0.49
PIK3CB P42338 2/20 0.49
CYP2C8 P10632 1/20 0.49
RICTOR Q6R327 2/20 0.49
RPTOR Q8N122 2/20 0.49
MAPKAP1 Q9BPZ7 2/20 0.49
MLST8 Q9BVC4 2/20 0.49
PIK3C3 Q8NEB9 1/20 0.49

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
SCHEMBL38657376 1.00 MTOR (0.55) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1408886 0.94 MTOR (0.56) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1408574 0.90 PIK3CA (0.73) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1409643 0.88 PIK3CA (0.60) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1409935 0.86 PIK3CA (0.58) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1409603 0.86 MTOR (0.61) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1409605 0.86 MTOR (0.61) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1409690 0.84 PIK3CA (0.60) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL628559 0.84 MTOR (0.51) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1409514 0.81 PIK3CA (0.43) MTORPIK3CAPIK3R1PIK3CG

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-3216793-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2019-03-27 EP disclosed
EP-3216793-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2017-09-13 EP disclosed
EP-2294072-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-03-29 EP disclosed