SCHEMBL17836769

SCHEMBL17836769

CC1COCCN1c1nc(-c2ccc(NC(=O)NC3COC3)cc2)nc2c1CS(O)(O)C2(C)C

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.75
KCNH2 Q12809 1/20 0.69
RICTOR Q6R327 1/20 0.69
RPTOR Q8N122 1/20 0.69
MAPKAP1 Q9BPZ7 1/20 0.69
MLST8 Q9BVC4 1/20 0.69
PIK3CA P42336 2/20 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
SCHEMBL14842736 0.95 MTOR (0.71) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL14852657 0.93 MTOR (0.80) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL17836777 0.91 MTOR (0.72) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL14842915 0.89 MTOR (0.87) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL14842918 0.89 MTOR (0.87) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL14843084 0.89 MTOR (0.81) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL14842734 0.89 MTOR (0.81) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL14843085 0.88 MTOR (0.66) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL17836785 0.88 MTOR (0.66) MTORKCNH2RICTORRPTORMAPKAP1
SCHEMBL17836791 0.88 MTOR (0.76) MTORKCNH2RICTORRPTORMAPKAP1

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-2763985-B1 {(4-(4-MORPHOLINO-DIHYDROTHIENO[3,4-D]PYRIMIDIN-2-YL)ARYL}UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LTD (GB) 2016-06-22 EP claimed