SCHEMBL3719793

SCHEMBL3719793

Nc1ccc(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.84
NPSR1 Q6W5P4 2/20 0.84
TSHR P16473 2/20 0.84
HSD17B10 Q99714 2/20 0.84
MAPK1 P28482 1/20 0.84
HTT P42858 2/20 0.72
PIK3CA P42336 4/20 0.62
HPGD P15428 3/20 0.62
MTOR P42345 2/20 0.62
PIK3R1 P27986 1/20 0.62
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 3/20 0.59
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 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
SCHEMBL3452088 0.92 MAPT (1.00) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL14271150 0.87 MAPT (0.84) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL4939159 0.84 PIK3CA (0.64) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL10830558 0.83 HTT (0.80) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3353780 0.83 NPSR1 (0.69) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL13153211 0.81 MTOR (0.61) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL14271149 0.81 NPSR1 (0.78) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3451098 0.80 NPSR1 (0.72) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL628064 0.79 MAPT (0.55) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL1029661 0.78 HTT (0.80) MAPTNPSR1TSHRHSD17B10MAPK1

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