SCHEMBL22962474

SCHEMBL22962474

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC(C)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.85
KDR P35968 2/20 0.76
CIT O14578 1/20 0.76
GAK O14976 1/20 0.76
EPHB6 O15197 1/20 0.76
ABCC4 O15439 1/20 0.76
DAPK3 O43293 1/20 0.76
RIPK2 O43353 1/20 0.76
NR1I2 O75469 1/20 0.76
RPS6KA4 O75676 1/20 0.76
STK17B O94768 1/20 0.76
STK10 O94804 1/20 0.76
PRKD3 O94806 1/20 0.76
ABCB11 O95342 1/20 0.76
MAP4K4 O95819 1/20 0.76
CHEK2 O96017 1/20 0.76
ABL1 P00519 1/20 0.76
ERBB2 P04626 1/20 0.76
LCK P06239 1/20 0.76
LYN P07948 1/20 0.76

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
SCHEMBL12012 0.92 EGFR (1.00) EGFRKDRCITGAKEPHB6
SCHEMBL17520338 0.92 EGFR (1.00) EGFRKDRCITGAKEPHB6
SCHEMBL11395 0.91 EGFR (1.00) EGFRKDRCITGAKEPHB6
SCHEMBL17520333 0.90 EGFR (0.95) EGFRKDRCITGAKEPHB6
SCHEMBL22338480 0.88 EGFR (0.92) EGFRKDRCITGAKEPHB6
SCHEMBL18445807 0.88 EGFR (0.81) EGFRKDRCITGAKEPHB6
SCHEMBL17520332 0.88 EGFR (1.00) EGFRKDRCITGAKEPHB6
SCHEMBL11132 0.88 EGFR (1.00) EGFRKDRCITGAKEPHB6
SCHEMBL15939085 0.88 EGFR (0.79) EGFRKDRCITGAKEPHB6
SCHEMBL15946893 0.88 EGFR (0.79) EGFRKDRCITGAKEPHB6

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-2021023233-A1 EGFR PROTEIN DEGRADANT AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2021-02-11 WO disclosed