SCHEMBL3722261

SCHEMBL3722261

CN1CCN(c2ccc(NC(=O)Nc3ccc(-c4nccc(N5CCOCC5)n4)cc3)cn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.72
PIK3CA P42336 6/20 0.68
PIK3CD O00329 1/20 0.68
PIK3CG P48736 3/20 0.54
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3722243 0.94 PIK3CA (0.72) MTORPIK3CAPIK3CDPIK3CGCYP1A2
SCHEMBL3722159 0.91 PIK3CA (0.71) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL13828802 0.86 MTOR (0.79) MTORPIK3CA
SCHEMBL3723383 0.85 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL3730124 0.85 PIK3CA (0.77) MTORPIK3CAPIK3CDPIK3CGMAPT
SCHEMBL13718593 0.84 MTOR (1.00) MTOR
SCHEMBL12463122 0.84 MTOR (0.91) MTOR
SCHEMBL3721523 0.84 PIK3CA (0.75) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2369790 0.84 PIK3CA (0.78) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL3727361 0.83 MTOR (0.73) MTORPIK3CAPIK3CDPIK3CG

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