SCHEMBL17836802

SCHEMBL17836802

CC1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2)nc2c1C(C)S(O)(O)CC2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.59
RPTOR Q8N122 7/20 0.54
MLST8 Q9BVC4 7/20 0.54
PIK3CA P42336 4/20 0.54
CYP3A4 P08684 3/20 0.53
KCNH2 Q12809 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
SCHEMBL14842910 0.92 MTOR (0.61) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL14843064 0.92 MTOR (0.57) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL14842902 0.92 MTOR (0.57) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL17836772 0.92 MTOR (0.57) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL14842905 0.92 MTOR (0.57) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL14842909 0.92 MTOR (0.57) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL14843222 0.92 MTOR (0.57) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL14842788 0.87 MTOR (0.67) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL17836797 0.87 MTOR (0.67) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL14842903 0.87 MTOR (0.59) MTORRPTORMLST8PIK3CACYP3A4

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