SCHEMBL28809062

SCHEMBL28809062

Cc1c(-c2c[c]cnc2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.62
PIK3CA P42336 18/20 0.58
PIK3CD O00329 9/20 0.54
PIK3CB P42338 9/20 0.54
PIK3CG P48736 9/20 0.54
RPTOR Q8N122 1/20 0.54
MLST8 Q9BVC4 1/20 0.54
SYK P43405 2/20 0.51
MAP3K9 P80192 2/20 0.51
PIK3C2A O00443 1/20 0.51
PIK3C2B O00750 1/20 0.51
STK10 O94804 1/20 0.51
PAK4 O96013 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
FGR P09769 1/20 0.51
FER P16591 1/20 0.51
PRKCA P17252 1/20 0.51
JAK1 P23458 1/20 0.51
TEC P42680 1/20 0.51

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
SCHEMBL27943082 0.86 MTOR (0.68) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17555342 0.86 MTOR (0.67) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL27943076 0.84 MTOR (0.63) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4445564 0.84 MTOR (0.70) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4441057 0.84 MTOR (0.75) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4441460 0.83 MTOR (0.68) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4435386 0.81 MTOR (0.66) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4439910 0.81 PIK3CA (0.69) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17571345 0.81 MTOR (0.78) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4556110 0.81 MTOR (0.78) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 CN claimed
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 CN disclosed