SCHEMBL28612402

SCHEMBL28612402

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(OCc4ccccc4Cl)c3)cc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.64
KDR P35968 8/20 0.62
MAPK14 Q16539 4/20 0.62
ABL1 P00519 3/20 0.62
EPHA2 P29317 3/20 0.62
MAP3K20 Q9NYL2 3/20 0.62
AURKB Q96GD4 3/20 0.62
SRC P12931 3/20 0.62
PLK4 O00444 2/20 0.62
AURKA O14965 2/20 0.62
MAPK13 O15264 2/20 0.62
MAP4K4 O95819 2/20 0.62
LCK P06239 2/20 0.62
FYN P06241 2/20 0.62
LYN P07948 2/20 0.62
RPS6KB1 P23443 2/20 0.62
AXL P30530 2/20 0.62
FRK P42685 2/20 0.62
MAPK9 P45984 2/20 0.62
BLK P51451 2/20 0.62

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
SCHEMBL28608251 0.90 KDR (0.63) RETKDRMAPK14ABL1EPHA2
SCHEMBL28608317 0.90 KDR (0.63) RETKDRMAPK14ABL1EPHA2
SCHEMBL28608316 0.90 KDR (0.62) RETKDRMAPK14ABL1EPHA2
SCHEMBL28612602 0.90 KDR (0.65) RETKDRMAPK14ABL1EPHA2
SCHEMBL28618200 0.87 RET (0.64) RETKDRMAPK14ABL1EPHA2
SCHEMBL28919879 0.87 KDR (0.69) RETKDRMAPK14ABL1EPHA2
SCHEMBL28608098 0.86 KDR (0.59) RETKDRMAPK14ABL1EPHA2
SCHEMBL5569372 0.84 KDR (0.74) RETKDRMAPK14ABL1EPHA2
SCHEMBL28612395 0.84 KDR (0.67) RETKDRMAPK14ABL1EPHA2
SCHEMBL14453650 0.84 KDR (0.70) RETKDRMAPK14ABL1EPHA2

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