SCHEMBL30459820

SCHEMBL30459820

O=[N+]([O-])c1cc(Nc2nccc(-c3cn(CCO)c4ccccc34)n2)c(OC(F)F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.60
MKNK2 Q9HBH9 6/20 0.57
MKNK1 Q9BUB5 2/20 0.47
GSK3B P49841 2/20 0.44

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
SCHEMBL17683084 1.00 EGFR (0.60) EGFRMKNK2MKNK1GSK3B
SCHEMBL17542562 0.91 EGFR (0.72) EGFRMKNK2MKNK1GSK3B
SCHEMBL17683074 0.88 EGFR (0.54) EGFRMKNK2MKNK1
SCHEMBL30460067 0.88 EGFR (0.54) EGFRMKNK2MKNK1
SCHEMBL30459887 0.88 MKNK2 (0.49) EGFRMKNK2MKNK1
SCHEMBL17683085 0.88 EGFR (0.62) EGFRMKNK2
SCHEMBL31277659 0.87 EGFR (0.73) EGFRMKNK2MKNK1GSK3B
SCHEMBL22585898 0.87 EGFR (0.73) EGFRMKNK2MKNK1GSK3B
SCHEMBL17822327 0.85 EGFR (0.63) EGFRMKNK2MKNK1GSK3B
SCHEMBL30883840 0.85 EGFR (0.63) EGFRMKNK2MKNK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 CN disclosed
CN-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed