SCHEMBL34462033

SCHEMBL34462033

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2cc(C=O)c(C3CC3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.38
ERBB2 P04626 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
KDR P35968 1/20 0.34
SYK P43405 1/20 0.34
ALK Q9UM73 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
IGF1R P08069 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
PRKDC P78527 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17670219 1.00 EGFR (0.38) EGFRERBB2CCNA2CDK2TTK
SCHEMBL31030279 0.89 EGFR (0.37) EGFRERBB2KDRSYKLMNA
SCHEMBL17670296 0.89 EGFR (0.37) EGFRERBB2KDRSYKLMNA
SCHEMBL17670190 0.88 EGFR (0.39) EGFRERBB2SYKALKLMNA
SCHEMBL17670196 0.88 EGFR (0.39) EGFRERBB2ALKLMNAKMT2A
SCHEMBL30384575 0.88 EGFR (0.39) EGFRERBB2ALKLMNAKMT2A
SCHEMBL17670228 0.87 EGFR (0.46) EGFRERBB2TTKALDH1A1
SCHEMBL17670292 0.86 EGFR (0.36) EGFRERBB2KDRALKLMNA
SCHEMBL17670104 0.85 EGFR (0.38) EGFRERBB2CCNA2CDK2TTK
SCHEMBL17670396 0.85 EGFR (0.43) EGFRERBB2SYK

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-4725554-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2026-04-15 EP disclosed