SCHEMBL2447718

SCHEMBL2447718

Cn1cc(-c2cnc3ccc4ccc(N(C5CCOC5)S(N)(=O)=O)cc4c(=O)c3c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.68
KCNH2 Q12809 2/20 0.57
MST1R Q04912 2/20 0.56
AURKA O14965 1/20 0.56
JAK2 O60674 1/20 0.56
ABL1 P00519 1/20 0.56
NTRK1 P04629 1/20 0.56
RET P07949 1/20 0.56
CYP3A4 P08684 1/20 0.56
PDGFRB P09619 1/20 0.56
FGFR1 P11362 1/20 0.56
CYP2C9 P11712 1/20 0.56
NQO2 P16083 1/20 0.56
FLT1 P17948 1/20 0.56
FGFR2 P21802 1/20 0.56
FGFR3 P22607 1/20 0.56
FECH P22830 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56

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
SCHEMBL4791073 0.90 MET (0.70) METKCNH2MST1RAURKAJAK2
SCHEMBL2326817 0.90 MET (0.70) METKCNH2MST1RAURKAJAK2
SCHEMBL2451612 0.85 MET (0.59) METKCNH2MST1RAURKAJAK2
SCHEMBL2452747 0.81 MET (0.69) METKCNH2MST1R
SCHEMBL2327324 0.81 MET (1.00) METKCNH2MST1RAURKAJAK2
SCHEMBL2325911 0.81 MET (1.00) METKCNH2MST1RAURKAJAK2
SCHEMBL2322768 0.81 MET (1.00) METKCNH2MST1RAURKAJAK2
SCHEMBL2446680 0.77 MET (0.67) METKCNH2MST1R
SCHEMBL2322587 0.75 MET (0.72) METKCNH2MST1RAURKAJAK2
SCHEMBL2326090 0.75 MET (0.75) METKCNH2MST1RAURKAJAK2

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-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed