SCHEMBL28608251

SCHEMBL28608251

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(OCc4ccccc4C)c3)cc2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.63
MAPK14 Q16539 4/20 0.63
RET P07949 3/20 0.63
SRC P12931 3/20 0.63
AURKB Q96GD4 3/20 0.63
PLK4 O00444 2/20 0.63
AURKA O14965 2/20 0.63
MAPK13 O15264 2/20 0.63
MAP4K4 O95819 2/20 0.63
ABL1 P00519 2/20 0.63
LCK P06239 2/20 0.63
FYN P06241 2/20 0.63
LYN P07948 2/20 0.63
RPS6KB1 P23443 2/20 0.63
EPHA2 P29317 2/20 0.63
AXL P30530 2/20 0.63
FRK P42685 2/20 0.63
MAPK9 P45984 2/20 0.63
BLK P51451 2/20 0.63
CAMK2B Q13554 2/20 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
SCHEMBL28608317 0.91 KDR (0.63) KDRMAPK14RETSRCAURKB
SCHEMBL28612402 0.90 RET (0.64) KDRMAPK14RETSRCAURKB
SCHEMBL28612602 0.90 KDR (0.65) KDRMAPK14RETSRCAURKB
SCHEMBL28608316 0.90 KDR (0.62) KDRMAPK14RETSRCAURKB
SCHEMBL28919879 0.88 KDR (0.69) KDRMAPK14RETSRCAURKB
SCHEMBL28608098 0.87 KDR (0.59) KDRMAPK14RETSRCAURKB
SCHEMBL5569372 0.85 KDR (0.74) KDRMAPK14RETSRCAURKB
SCHEMBL28612395 0.85 KDR (0.67) KDRMAPK14RETSRCAURKB
SCHEMBL14453650 0.84 KDR (0.70) KDRMAPK14RETSRCAURKB
SCHEMBL12391532 0.83 RAF1 (0.76) KDRMAPK14RETSRCAURKB

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