SCHEMBL3726547

SCHEMBL3726547

O=C(Nc1ccc(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1)NC1CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MTOR P42345 13/20 0.58
PIK3CA P42336 12/20 0.58
PIK3CG P48736 8/20 0.58
HTT P42858 1/20 0.54
GAA P10253 1/20 0.52
PIK3CD O00329 1/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL628470 0.85 MTOR (0.58) NPSR1MAPTMTORPIK3CAUSP2
SCHEMBL8218959 0.84 PIK3CA (0.59) MTORPIK3CAPIK3CGGAAPIK3CD
SCHEMBL3598858 0.83 PIK3CA (0.61) MTORPIK3CAPIK3CGHTTPIK3CD
SCHEMBL3935094 0.83 PIK3CA (0.49) MTORPIK3CAPIK3CGGAAPIK3CD
SCHEMBL3722063 0.83 PIK3CA (0.61) NPSR1MAPTTSHRMAPK1HSD17B10
SCHEMBL3932966 0.82 ATR (0.56) MTORPIK3CAPIK3CGGAAPIK3CD
SCHEMBL2370172 0.82 PIK3CA (0.71) MTORPIK3CAPIK3CGGAAPIK3CD
SCHEMBL3596872 0.82 PIK3CA (0.62) MTORPIK3CAPIK3CGGAAPIK3CD
SCHEMBL4193910 0.81 GAA (0.48) MTORPIK3CAPIK3CGGAAPIK3CD
SCHEMBL627786 0.81 MTOR (0.62) MTORPIK3CA

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