SCHEMBL3728215

SCHEMBL3728215

Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.65
TSHR P16473 4/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ACP1 P24666 2/20 0.51
PIK3CA P42336 4/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL55791 0.80 MTOR (0.70) MTORPIK3CA
SCHEMBL1408711 0.79 MTOR (0.58) MTORPIK3CA
SCHEMBL55812 0.79 MTOR (1.00) MTORPIK3CA
SCHEMBL56563 0.78 PIK3CA (0.59) MTORPIK3CA
SCHEMBL55555 0.77 MTOR (0.68) MTORPIK3CA
SCHEMBL3721321 0.77 HSD17B10 (0.48) MTORTSHRMAPK1HSD17B10ACP1
SCHEMBL628064 0.76 MAPT (0.55) MTORTSHRMAPK1HSD17B10PIK3CA
SCHEMBL7878949 0.75 PIK3CA (0.57) MTORPIK3CA
SCHEMBL628146 0.75 MTOR (0.57) MTORPIK3CAMAPTMEN1KMT2A
SCHEMBL3724096 0.75 MTOR (0.57) MTORPIK3CAMEN1KMT2A

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