SCHEMBL10046591

SCHEMBL10046591

C=C(c1ccc(N)cc1F)c1ccnc2cc(OCCCN3CCOCC3)c(OC)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.72
RET P07949 3/20 0.54
KIF5B P33176 1/20 0.54
EGFR P00533 9/20 0.54
SRC P12931 6/20 0.54
KDR P35968 6/20 0.54
FLT3 P36888 3/20 0.54
FLT4 P35916 3/20 0.54
MET P08581 3/20 0.54
CIT O14578 2/20 0.54
EPHB6 O15197 2/20 0.54
DAPK3 O43293 2/20 0.54
RIPK2 O43353 2/20 0.54
STK10 O94804 2/20 0.54
PRKD3 O94806 2/20 0.54
MAP4K4 O95819 2/20 0.54
CHEK2 O96017 2/20 0.54
ABL1 P00519 2/20 0.54
ERBB2 P04626 2/20 0.54
LCK P06239 2/20 0.54

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
SCHEMBL166239 0.84 AXL (1.00) AXLRETEGFRSRCKDR
SCHEMBL30000966 0.84 AXL (1.00) AXLRETEGFRSRCKDR
SCHEMBL14289180 0.84 AXL (1.00) AXLRETEGFRSRCKDR
SCHEMBL903267 0.83 AXL (0.74) AXLRETKIF5BEGFRSRC
SCHEMBL12469296 0.82 AXL (0.73) AXLRETKIF5BEGFRSRC
SCHEMBL900298 0.80 AXL (0.69) AXLRETEGFRSRCKDR
SCHEMBL1591152 0.79 AXL (0.92) AXLRETEGFRSRCKDR
SCHEMBL14289192 0.79 AXL (0.92) AXLRETEGFRSRCKDR
SCHEMBL29908856 0.79 AXL (0.92) AXLRETEGFRSRCKDR
SCHEMBL13380202 0.79 AXL (0.65) AXLRETKIF5BEGFRSRC

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-2012009723-A1 C-MET MODULATOR PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2012-01-19 WO disclosed