SCHEMBL29731545

SCHEMBL29731545

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CBr

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.79
ERBB2 P04626 12/20 0.79
ERBB4 Q15303 7/20 0.79
JAK3 P52333 2/20 0.79
ERBB3 P21860 1/20 0.77
DUS2 Q9NX74 1/20 0.77
GAK O14976 1/20 0.76
RIPK2 O43353 1/20 0.76
NR1I2 O75469 1/20 0.76
LCK P06239 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
CHRM1 P11229 1/20 0.76
SRC P12931 1/20 0.76
DRD2 P14416 1/20 0.76
ADRA2C P18825 1/20 0.76
SLC6A2 P23975 1/20 0.76
MC3R P41968 1/20 0.76
SLC6A3 Q01959 1/20 0.76
PDE4D Q08499 1/20 0.76
KCNH2 Q12809 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
SCHEMBL869099 1.00 EGFR (0.79) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL869098 1.00 EGFR (0.79) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL17498544 0.94 EGFR (0.71) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL16398699 0.93 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL16398696 0.93 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL25829 0.92 EGFR (0.80) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL18862642 0.92 EGFR (0.80) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL16405547 0.92 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL17498519 0.92 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL18427450 0.92 EGFR (0.79) EGFRERBB2ERBB4JAK3ERBB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304170-A Bifunctional molecule capable of degrading EGFR mutant and preparation method and application thereof 中国药科大学 2023-12-29 CN disclosed
CN-112321566-B EGFR protein degradation agent and anti-tumor application thereof 上海科技大学 2022-06-10 CN disclosed