SCHEMBL25707230

SCHEMBL25707230

COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCN

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.68
EGFR P00533 19/20 0.67
KDR P35968 3/20 0.65
AURKA O14965 1/20 0.65
ERBB2 P04626 1/20 0.65
INSR P06213 1/20 0.65
FBP1 P09467 1/20 0.65
PDGFRB P09619 1/20 0.65
FLT4 P35916 1/20 0.65
CLK1 P49759 1/20 0.65
EPHB4 P54760 1/20 0.65
TEK Q02763 1/20 0.65
AURKB Q96GD4 1/20 0.65
RIPK2 O43353 1/20 0.65
KIF5B P33176 1/20 0.65
NOD1 Q9Y239 1/20 0.65

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
SCHEMBL25735856 0.90 RET (0.55) RETEGFRKDRAURKAERBB2
SCHEMBL14863005 0.89 EGFR (0.84) EGFRKDRAURKAERBB2INSR
SCHEMBL13498209 0.88 EGFR (0.64) RETEGFRKDRAURKAERBB2
SCHEMBL19885272 0.88 EGFR (0.64) RETEGFRKDRAURKAERBB2
SCHEMBL19006946 0.88 EGFR (0.81) RETEGFRKDRAURKAERBB2
SCHEMBL19220797 0.88 HDAC3 (0.69) EGFRKDRERBB2
SCHEMBL19220791 0.87 EGFR (0.77) RETEGFRKDRKIF5B
SCHEMBL19220795 0.87 HDAC3 (0.69) EGFRKDRERBB2
SCHEMBL14066712 0.86 HDAC3 (0.82) EGFRKDRERBB2
SCHEMBL19220793 0.86 EGFR (0.82) RETEGFRKDRERBB2FLT4

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-2023092094-A2 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. (US) 2023-05-25 WO disclosed