SCHEMBL6900336

SCHEMBL6900336

Nc1cnc(-c2nc(N3CC4CCC(C3)O4)nc3c2ncn3C2CCCCCC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.66
PIK3CA P42336 7/20 0.66
PIK3CB P42338 1/20 0.66
PIK3CG P48736 1/20 0.66
PIK3C3 Q8NEB9 1/20 0.66
PI4KA P42356 3/20 0.39
PI4K2B Q8TCG2 3/20 0.39
PI4K2A Q9BTU6 3/20 0.39
PI4KB Q9UBF8 3/20 0.39
ADORA2A P29274 3/20 0.39
FLT3 P36888 4/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
MAPKAP1 Q9BPZ7 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
PIK3R1 P27986 2/20 0.34

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
SCHEMBL6898715 0.99 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898696 0.89 MTOR (0.57) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899723 0.88 MTOR (0.66) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899720 0.88 MTOR (0.63) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898688 0.86 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900142 0.86 MTOR (0.61) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898833 0.86 PIK3CA (0.61) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL7955199 0.84 FLT3 (0.53) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900063 0.84 MTOR (0.59) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899131 0.83 PIK3CA (0.65) 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