SCHEMBL3722159

SCHEMBL3722159

CN1CCN(c2ccc(NC(=O)Nc3ccc(-c4nccc(N5CCOCC5)n4)cc3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.71
PIK3CD O00329 1/20 0.71
MTOR P42345 15/20 0.66
PIK3CG P48736 3/20 0.59
JAK3 P52333 1/20 0.56
JAK2 O60674 1/20 0.54
FLT3 P36888 1/20 0.54

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
SCHEMBL3730124 0.94 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3722261 0.91 MTOR (0.72) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3721523 0.86 PIK3CA (0.75) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL2369790 0.86 PIK3CA (0.78) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3722243 0.84 PIK3CA (0.72) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL2370051 0.83 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3722063 0.82 PIK3CA (0.61) PIK3CAMTORPIK3CG
SCHEMBL13828894 0.82 MTOR (0.78) MTOR
SCHEMBL3727361 0.82 MTOR (0.73) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL2369449 0.82 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CG

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