SCHEMBL26095604

SCHEMBL26095604

CC(C1CCC1)n1nc(-c2ccc3oc(N)nc3c2F)c2c(N)nc(N)nc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.71
RICTOR Q6R327 15/20 0.71
RPTOR Q8N122 15/20 0.71
MAPKAP1 Q9BPZ7 15/20 0.71
MLST8 Q9BVC4 15/20 0.71
PIK3CA P42336 9/20 0.47
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 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
SCHEMBL22494330 0.83 MTOR (1.00) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL22494333 0.83 MTOR (1.00) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL26095712 0.83 MTOR (0.52) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL26093528 0.80 MTOR (0.75) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL22494269 0.74 MTOR (1.00) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL22494417 0.74 MTOR (1.00) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL26095408 0.69 PDE8B (0.38) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL22494342 0.67 MTOR (0.70) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL22494344 0.67 MTOR (0.70) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL22494446 0.64 MTOR (1.00) MTORRICTORRPTORMAPKAP1MLST8

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
EP-3727389-B1 COMPOUNDS AS MTOR INHIBITORS GALDERMA RES & DEV (FR) 2023-05-03 EP claimed
EP-3727389-B1 COMPOUNDS AS MTOR INHIBITORS GALDERMA RES & DEV (FR) 2023-05-03 EP disclosed