SCHEMBL7876256

SCHEMBL7876256

CS(=O)(=O)c1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6nnc[nH]6)CC5)nc34)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
RPTOR Q8N122 3/20 0.40
MLST8 Q9BVC4 3/20 0.40
JAK3 P52333 2/20 0.36
GPR119 Q8TDV5 7/20 0.34
KCNH2 Q12809 2/20 0.34
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
KDR P35968 1/20 0.34
ETV6 P41212 1/20 0.34
CCDC6 Q16204 1/20 0.34
MCHR1 Q99705 1/20 0.33
NTRK1 P04629 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL10240085 0.94 MTOR (0.39) MTORRPTORMLST8JAK3KCNH2
SCHEMBL10240007 0.92 MTOR (0.45) MTORRPTORMLST8KCNH2RET
SCHEMBL10240033 0.90 MTOR (0.39) MTORRPTORMLST8KCNH2RET
SCHEMBL10238211 0.90 MTOR (0.39) MTORRPTORMLST8JAK3GPR119
SCHEMBL7885321 0.90 MTOR (0.39) MTORRPTORMLST8KCNH2RET
SCHEMBL10240093 0.87 MTOR (0.38) MTORRPTORMLST8KCNH2RET
SCHEMBL10240030 0.86 MTOR (0.39) MTORRPTORMLST8KCNH2RET
SCHEMBL7880980 0.86 HPGD (0.37) MTORRPTORMLST8KCNH2RET
SCHEMBL10240029 0.85 MTOR (0.35) MTORRPTORMLST8RETKIF5B
SCHEMBL10234991 0.85 MTOR (0.38) MTORRPTORMLST8JAK3KCNH2

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
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed