SCHEMBL6898833

SCHEMBL6898833

CC(=O)N1CCC(n2cnc3c(-c4cnc(N)cn4)nc(N4CC5CCC(C4)O5)nc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.61
MTOR P42345 8/20 0.61
PIK3CG P48736 2/20 0.61
PIK3CB P42338 2/20 0.61
PIK3C3 Q8NEB9 1/20 0.61
PIK3R1 P27986 7/20 0.37
PIK3CD O00329 1/20 0.37
PNP P00491 1/20 0.35
FEN1 P39748 2/20 0.33
MAP3K12 Q12852 2/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL6900142 0.92 MTOR (0.61) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL1913603 0.89 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL6898715 0.86 MTOR (0.67) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL6900336 0.86 MTOR (0.66) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL6900031 0.86 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL6898688 0.82 MTOR (0.67) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL6899720 0.81 MTOR (0.63) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL6899723 0.80 MTOR (0.66) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL1913668 0.78 MTOR (0.80) PIK3CAMTORPIK3CGPIK3CBPIK3C3
SCHEMBL6900063 0.78 MTOR (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3C3

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