SCHEMBL4057172

SCHEMBL4057172

CS(=O)(=O)n1ccc2c3nc(-c4ccc(NC(=O)Nc5ccccc5)cc4)nc(N4CCOCC4)c3ccc21.CS(=O)(=O)n1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.79
PIK3CA P42336 7/20 0.53
PIK3R1 P27986 6/20 0.53
PIK3CG P48736 1/20 0.50

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
SCHEMBL4052381 0.95 MTOR (0.86) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL4050285 0.88 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL4058302 0.88 MTOR (0.84) MTORPIK3CAPIK3R1
SCHEMBL4050757 0.88 MTOR (0.79) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL4053948 0.86 MTOR (0.84) MTORPIK3CAPIK3R1
SCHEMBL4051368 0.86 MTOR (0.83) MTORPIK3CAPIK3CG
SCHEMBL4058503 0.85 MTOR (0.81) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL4052500 0.84 MTOR (0.80) MTORPIK3CAPIK3R1
SCHEMBL4059830 0.84 MTOR (0.67) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL4056208 0.83 MTOR (0.79) MTORPIK3CAPIK3R1

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-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO disclosed