SCHEMBL6899131

SCHEMBL6899131

Nc1cnc(-c2nc(N3CC4CCC(C3)O4)nc3c2ncn3CCC2CCCCC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.65
MTOR P42345 9/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
PIK3C3 Q8NEB9 1/20 0.65
PIK3R1 P27986 6/20 0.34
HDAC1 Q13547 3/20 0.34
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL6898844 0.87 MTOR (0.69) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL6899968 0.86 MTOR (0.76) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL6898690 0.85 MTOR (0.69) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL6900336 0.83 MTOR (0.66) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL6898715 0.82 MTOR (0.67) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL1913482 0.82 MTOR (0.65) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL6898688 0.80 MTOR (0.67) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL1913668 0.79 MTOR (0.80) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL6898576 0.79 MTOR (0.74) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL6899723 0.79 MTOR (0.66) PIK3CAMTORPIK3CBPIK3CGPIK3C3

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-2011078795-A1 BRIDGED MORPHOLINO SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2011-06-30 WO disclosed