SCHEMBL24948889

SCHEMBL24948889

COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OC(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.66
KDR P35968 8/20 0.66
RET P07949 4/20 0.66
KIF5B P33176 3/20 0.66
FBP1 P09467 2/20 0.66
CLK1 P49759 2/20 0.66
AURKA O14965 1/20 0.66
ERBB2 P04626 1/20 0.66
INSR P06213 1/20 0.66
PDGFRB P09619 1/20 0.66
FLT4 P35916 1/20 0.66
EPHB4 P54760 1/20 0.66
TEK Q02763 1/20 0.66
AURKB Q96GD4 1/20 0.66
RIPK2 O43353 1/20 0.66
NOD1 Q9Y239 1/20 0.66
SRC P12931 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
LCK P06239 3/20 0.61
FLT1 P17948 1/20 0.60

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
SCHEMBL24950283 0.88 KDR (0.85) EGFRKDRRETKIF5BFBP1
SCHEMBL13497856 0.88 EGFR (0.85) EGFRKDRFBP1CLK1AURKA
SCHEMBL25707230 0.84 RET (0.68) EGFRKDRRETKIF5BFBP1
SCHEMBL19220799 0.84 KDR (0.73) EGFRKDRRETKIF5BFBP1
SCHEMBL12846249 0.84 EGFR (0.64) EGFRKDRRETKIF5BFBP1
SCHEMBL19885272 0.83 EGFR (0.64) EGFRKDRRETKIF5BFBP1
SCHEMBL8871277 0.83 EGFR (0.84) EGFRKDRRETKIF5BFBP1
SCHEMBL5565204 0.81 KDR (0.79) EGFRKDRRETKIF5BCLK1
SCHEMBL15217642 0.81 FBP1 (0.77) EGFRKDRRETKIF5BFBP1
SCHEMBL19006946 0.81 EGFR (0.81) EGFRKDRRETKIF5BFBP1

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
EP-4122925-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME Medshine Discovery Inc. (CN) 2023-01-25 EP disclosed