SCHEMBL3723258

SCHEMBL3723258

CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(O)c(N)c(N4CCOCC4)n3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.74
PIK3CA P42336 17/20 0.74
PIK3CG P48736 10/20 0.74

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
SCHEMBL3725847 0.88 MTOR (0.69) MTORPIK3CAPIK3CG
SCHEMBL32459 0.85 PIK3CA (1.00) MTORPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL1409209 0.84 PIK3CA (1.00) MTORPIK3CAPIK3CG
SCHEMBL32231 0.84 PIK3CA (0.89) MTORPIK3CAPIK3CG
SCHEMBL3989252 0.83 MTOR (0.70) MTORPIK3CAPIK3CG
SCHEMBL4239087 0.83 MTOR (0.70) MTORPIK3CAPIK3CG
SCHEMBL32241 0.83 PIK3CA (0.94) MTORPIK3CAPIK3CG
SCHEMBL32368 0.83 PIK3CA (0.94) MTORPIK3CAPIK3CG
SCHEMBL32706 0.83 PIK3CA (0.91) MTORPIK3CAPIK3CG
SCHEMBL3428530 0.82 PIK3CA (0.69) MTORPIK3CAPIK3CG

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
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO claimed
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed
WO-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 WO disclosed