SCHEMBL3722235

SCHEMBL3722235

CNC(=O)Nc1ccc(-c2nc3c(c(N4C5CCC4COC5)n2)COCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.59
PIK3CA P42336 17/20 0.57
PIK3CG P48736 8/20 0.52
CYP3A4 P08684 1/20 0.51
PIK3CD O00329 1/20 0.50
CYP2C8 P10632 1/20 0.50
PIK3CB P42338 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
SCHEMBL3719804 0.90 MTOR (0.57) MTORPIK3CAPIK3CGCYP3A4PIK3CD
SCHEMBL3727062 0.88 MTOR (0.55) MTORPIK3CAPIK3CGCYP3A4
SCHEMBL3721051 0.87 MTOR (0.71) MTORPIK3CAPIK3CG
SCHEMBL3720180 0.87 MTOR (0.60) MTORPIK3CAPIK3CGCYP3A4
SCHEMBL3719574 0.86 MTOR (0.54) MTORPIK3CAPIK3CGPIK3CDCYP2C8
SCHEMBL3721559 0.86 MTOR (0.66) MTORPIK3CAPIK3CGPIK3CDCYP2C8
SCHEMBL3722622 0.86 MTOR (0.57) MTORPIK3CAPIK3CGCYP3A4
SCHEMBL3723078 0.85 MTOR (0.56) MTORPIK3CAPIK3CGPIK3CDCYP2C8
SCHEMBL3718816 0.84 MTOR (0.58) MTORPIK3CAPIK3CG
SCHEMBL3719768 0.84 PIK3CA (0.66) MTORPIK3CAPIK3CGPIK3CDCYP2C8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120987-A1 RING FUSED, UREIDOARYL- AND CARBAMOYLARYL-BRIDGED MORPHOLINO-PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed