SCHEMBL7920904

SCHEMBL7920904

COC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.59
PIK3CA P42336 18/20 0.56
PIK3CG P48736 9/20 0.56
RICTOR Q6R327 1/20 0.56
RPTOR Q8N122 1/20 0.56
MAPKAP1 Q9BPZ7 1/20 0.56
MLST8 Q9BVC4 1/20 0.56
ATR Q13535 5/20 0.52
AURKB Q96GD4 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
SCHEMBL15393723 1.00 MTOR (0.59) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL14790912 0.93 MTOR (0.71) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3145907 0.88 MTOR (0.64) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL7920905 0.88 MTOR (0.64) MTORPIK3CAPIK3CGRICTORRPTOR
Hydrochloric Acid SCHEMBL1359560 0.88 MTOR (0.64) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL7917870 0.87 PIK3CA (0.51) MTORPIK3CAPIK3CGATRAURKB
SCHEMBL1359067 0.85 MTOR (0.80) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL7917261 0.83 MTOR (0.70) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL16684433 0.83 MTOR (0.65) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL14794908 0.82 MTOR (0.78) MTORPIK3CAPIK3CGATR

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
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed