SCHEMBL6898690

SCHEMBL6898690

CC(C)(C)Cn1cnc2c(-c3cnc(N)cn3)nc(N3CC4CCC(C3)O4)nc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.69
PIK3CA P42336 14/20 0.69
PIK3CB P42338 1/20 0.69
PIK3CG P48736 1/20 0.69
PIK3C3 Q8NEB9 1/20 0.69
PIK3R1 P27986 6/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
HDAC1 Q13547 3/20 0.31

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
SCHEMBL6901462 0.90 MTOR (0.58) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899968 0.89 MTOR (0.76) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898844 0.87 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899131 0.85 PIK3CA (0.65) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL7953828 0.83 PIK3CA (0.51) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1913482 0.83 MTOR (0.65) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1913668 0.82 MTOR (0.80) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL30874351 0.82 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL1913379 0.82 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900750 0.81 MTOR (0.78) MTORPIK3CAPIK3CBPIK3CGPIK3C3

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