SCHEMBL24314111

SCHEMBL24314111

CCC(CC=O)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.69
PIK3CA P42336 10/20 0.69
PIK3CD O00329 7/20 0.69
PIK3CG P48736 7/20 0.69
PIK3CB P42338 6/20 0.69
RICTOR Q6R327 6/20 0.69
RPTOR Q8N122 6/20 0.69
MAPKAP1 Q9BPZ7 6/20 0.69
MLST8 Q9BVC4 6/20 0.69
PIK3C3 Q8NEB9 1/20 0.69
DDR1 Q08345 4/20 0.59
PRKDC P78527 3/20 0.59
ABL1 P00519 2/20 0.58
BMPR1B O00238 1/20 0.58
RIPK2 O43353 1/20 0.58
STK16 O75716 1/20 0.58
STK10 O94804 1/20 0.58
MAP4K4 O95819 1/20 0.58
RET P07949 1/20 0.58
PDGFRB P09619 1/20 0.58

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
Sapanisertib SCHEMBL29351459 0.82 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Sapanisertib SCHEMBL7902875 0.82 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16546279 0.81 MTOR (0.84) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15497301 0.80 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7895680 0.80 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15497291 0.80 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7903995 0.79 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Sapanisertib SCHEMBL7895668 0.79 MTOR (0.77) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL20112902 0.79 MTOR (0.74) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL30880103 0.78 MTOR (0.75) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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
EP-3153023-B1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed