SCHEMBL17836770

SCHEMBL17836770

CC1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2)nc2c1CS(O)(O)CC2

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.70
PIK3CA P42336 3/20 0.64
CYP3A4 P08684 2/20 0.59
RPTOR Q8N122 3/20 0.58
MLST8 Q9BVC4 3/20 0.58
KCNH2 Q12809 2/20 0.58
RICTOR Q6R327 1/20 0.58
MAPKAP1 Q9BPZ7 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
SCHEMBL14842721 0.94 MTOR (0.69) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL17836779 0.94 MTOR (0.69) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL17836768 0.94 MTOR (0.69) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL14843598 0.92 MTOR (0.80) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL14842718 0.88 MTOR (0.79) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL14842891 0.88 MTOR (0.79) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL17836801 0.87 MTOR (0.62) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL17836797 0.87 MTOR (0.67) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL14842788 0.87 MTOR (0.67) MTORPIK3CACYP3A4RPTORMLST8
SCHEMBL443558 0.86 MTOR (0.63) MTORPIK3CACYP3A4RPTORMLST8

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