SCHEMBL15549540

SCHEMBL15549540

[2H]c1cc(Oc2ccnc3cc(OC)ccc23)ccc1NC(=O)c1c(C)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.77
KDR P35968 17/20 0.77
IGF1R P08069 15/20 0.77
AXL P30530 2/20 0.72
AURKA O14965 1/20 0.63
JAK2 O60674 1/20 0.63
RPS6KA5 O75582 1/20 0.63
ABL1 P00519 1/20 0.63
INSR P06213 1/20 0.63
LCK P06239 1/20 0.63
RET P07949 1/20 0.63
KIT P10721 1/20 0.63
PIM1 P11309 1/20 0.63
FGFR1 P11362 1/20 0.63
SRC P12931 1/20 0.63
PRKACA P17612 1/20 0.63
RPS6KB1 P23443 1/20 0.63
JAK1 P23458 1/20 0.63
MAPK3 P27361 1/20 0.63
AKT1 P31749 1/20 0.63

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
SCHEMBL15559333 0.94 MET (0.83) METKDRIGF1RAXLAURKA
SCHEMBL15550103 0.92 MET (0.75) METKDRIGF1RAXLAURKA
SCHEMBL15549383 0.88 MET (0.84) METKDRIGF1RAXLAURKA
SCHEMBL2742980 0.88 MET (0.79) METKDRIGF1RAXLAURKA
SCHEMBL199381 0.87 MET (1.00) METKDRIGF1RAXLAURKA
SCHEMBL200876 0.87 MET (1.00) METKDRIGF1RAXLAURKA
SCHEMBL15548937 0.86 MET (0.75) METKDRIGF1RAXLAURKA
SCHEMBL199328 0.86 IGF1R (1.00) METKDRIGF1RAURKAJAK2
SCHEMBL17993926 0.85 MET (0.81) METKDRIGF1RAXLAURKA
SCHEMBL15549815 0.85 MET (0.87) METKDRIGF1RAXLAURKA

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-2013180949-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE XI NING (US) 2013-12-05 WO disclosed