SCHEMBL6898696

SCHEMBL6898696

Cc1cnc(-c2nc(N3CC4CCC(C3)O4)nc3c2ncn3C2CCCCCC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
FLT3 P36888 4/20 0.38
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35
ADORA2A P29274 3/20 0.35
CTSL P07711 2/20 0.34
CTSS P25774 1/20 0.34
CTSB P07858 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33
CDK1 P06493 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PDGFRA P16234 1/20 0.32
GRIA1 P42261 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
SCHEMBL6900336 0.89 MTOR (0.66) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898715 0.88 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6901488 0.80 MTOR (0.59) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6901462 0.79 MTOR (0.58) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899723 0.79 MTOR (0.66) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898688 0.78 MTOR (0.67) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6898833 0.77 PIK3CA (0.61) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6900142 0.77 MTOR (0.61) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL6899720 0.77 MTOR (0.63) MTORPIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL23309806 0.76 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