SCHEMBL3721187

SCHEMBL3721187

Nc1ccc(-c2ncc(Cl)c(N3CCOCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.56
PIK3CA P42336 13/20 0.56
MTOR P42345 11/20 0.56
PIK3R1 P27986 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.50
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CB P42338 1/20 0.44

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
SCHEMBL13828577 0.84 PIK3CD (0.56) PIK3CDPIK3CAMTORPIK3R1TRPM8
SCHEMBL2148594 0.81 MTOR (0.65) PIK3CDPIK3CAMTORPIK3R1TRPM8
SCHEMBL3721578 0.81 TRPM8 (0.59) PIK3CDPIK3CAMTORPIK3R1TRPM8
SCHEMBL2148705 0.81 TRPM8 (0.77) MTORTRPM8
SCHEMBL18156584 0.79 PIK3CD (0.51) PIK3CDPIK3CAMTORPIK3R1TRPM8
SCHEMBL3730126 0.79 PIK3CD (0.51) PIK3CDPIK3CAMTORPIK3R1TRPM8
SCHEMBL2148489 0.79 MTOR (0.66) PIK3CDPIK3CAMTORPIK3R1TRPM8
SCHEMBL23019331 0.78 PIK3CA (0.49) PIK3CDPIK3CAMTORPIK3R1GAA
SCHEMBL3722288 0.78 PIK3CD (0.50) PIK3CDPIK3CAMTORPIK3R1TRPM8
SCHEMBL13828675 0.77 MTOR (0.58) PIK3CDPIK3CAMTORPIK3R1GAA

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-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