SCHEMBL3719795

SCHEMBL3719795

CN(C)CCOc1ccc(NC(=O)Nc2ccc(-c3nccc(N4CCOCC4)n3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.67
PIK3CD O00329 2/20 0.67
MTOR P42345 14/20 0.65
PIK3CG P48736 6/20 0.64
AOC3 Q16853 2/20 0.51
HRH3 Q9Y5N1 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
SCHEMBL13828813 0.84 MTOR (0.70) PIK3CAMTORPIK3CG
SCHEMBL2152954 0.82 MTOR (0.74) MTOR
SCHEMBL3730124 0.82 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL12463278 0.82 MTOR (0.74) PIK3CAMTORPIK3CG
SCHEMBL32391 0.81 PIK3CA (0.73) PIK3CAMTORPIK3CG
SCHEMBL2369790 0.81 PIK3CA (0.78) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3721523 0.81 PIK3CA (0.75) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL13828767 0.81 MTOR (0.81) PIK3CAMTORPIK3CG
SCHEMBL2370051 0.81 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL13828733 0.80 MTOR (0.72) PIK3CAMTORPIK3CG

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
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