SCHEMBL4080658

SCHEMBL4080658

CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3cccc(Nc4ccccc4)c3)nc2n1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.78
AKT1 P31749 2/20 0.73
PIK3CD O00329 1/20 0.69
PIK3R1 P27986 1/20 0.69
PIK3CA P42336 1/20 0.69
PIK3CB P42338 1/20 0.69
PIK3CG P48736 1/20 0.69
PFKP Q01813 1/20 0.69
KCNH2 Q12809 1/20 0.69
RPTOR Q8N122 1/20 0.69
PIK3C3 Q8NEB9 1/20 0.69
MLST8 Q9BVC4 1/20 0.69

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
SCHEMBL4080654 1.00 MTOR (0.78) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL2901002 0.88 MTOR (1.00) MTORAKT1KCNH2
SCHEMBL1218929 0.86 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL290661 0.86 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL2903023 0.85 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL26062596 0.85 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL289851 0.85 AKT1 (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL18434073 0.85 AKT1 (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL10224929 0.85 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL393754 0.85 AKT1 (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA

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-2057156-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Kudos Pharmaceuticals Limited (GB) 2009-05-13 EP disclosed
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 WO disclosed