SCHEMBL28615366

SCHEMBL28615366

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(NC(=O)c4c(F)cccc4F)c3)cc2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.71
RET P07949 4/20 0.71
MAPK14 Q16539 4/20 0.71
HIPK4 Q8NE63 4/20 0.71
ABL1 P00519 3/20 0.71
EPHA2 P29317 3/20 0.71
MAP3K20 Q9NYL2 3/20 0.71
SRC P12931 3/20 0.71
AURKB Q96GD4 3/20 0.71
PLK4 O00444 2/20 0.71
AURKA O14965 2/20 0.71
MAPK13 O15264 2/20 0.71
MAP4K4 O95819 2/20 0.71
LCK P06239 2/20 0.71
FYN P06241 2/20 0.71
LYN P07948 2/20 0.71
RPS6KB1 P23443 2/20 0.71
AXL P30530 2/20 0.71
FRK P42685 2/20 0.71
MAPK9 P45984 2/20 0.71

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
SCHEMBL12657043 0.88 RAF1 (0.68) KDRRETMAPK14HIPK4ABL1
SCHEMBL19878488 0.88 RAF1 (0.70) KDRRETMAPK14HIPK4ABL1
SCHEMBL19888709 0.88 KDR (0.76) KDRRETMAPK14HIPK4ABL1
SCHEMBL28604097 0.87 KDR (0.67) KDRRETMAPK14HIPK4ABL1
SCHEMBL12391532 0.85 RAF1 (0.76) KDRRETMAPK14HIPK4ABL1
SCHEMBL257980 0.85 RAF1 (0.82) KDRRETMAPK14HIPK4ABL1
SCHEMBL28612395 0.85 KDR (0.67) KDRRETMAPK14HIPK4ABL1
SCHEMBL19878531 0.85 RAF1 (0.69) KDRRETMAPK14HIPK4ABL1
SCHEMBL5569372 0.85 KDR (0.74) KDRRETMAPK14HIPK4ABL1
SCHEMBL19888730 0.84 RAF1 (0.78) KDRRETMAPK14HIPK4ABL1

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
CN-113264874-A Substituted diaryl urea derivative and preparation method and application thereof 华东理工大学 2021-08-17 CN disclosed