SCHEMBL17836772

SCHEMBL17836772

CC1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2)nc2c1C(C)S(O)(O)C2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.57
PIK3CA P42336 4/20 0.57
RPTOR Q8N122 8/20 0.56
MLST8 Q9BVC4 8/20 0.56
CYP3A4 P08684 3/20 0.54
KCNH2 Q12809 1/20 0.54
RICTOR Q6R327 1/20 0.54
MAPKAP1 Q9BPZ7 1/20 0.54
PIK3CD O00329 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
SCHEMBL14843222 1.00 MTOR (0.57) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14842902 1.00 MTOR (0.57) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14842909 1.00 MTOR (0.57) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14843064 1.00 MTOR (0.57) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14842905 1.00 MTOR (0.57) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL17836802 0.92 MTOR (0.59) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14842903 0.92 MTOR (0.59) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14842907 0.92 MTOR (0.59) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14843063 0.92 MTOR (0.59) MTORPIK3CARPTORMLST8CYP3A4
SCHEMBL14843219 0.92 MTOR (0.59) MTORPIK3CARPTORMLST8CYP3A4

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