SCHEMBL24699679

SCHEMBL24699679

C=CC(=O)N1CCOc2ccc(-c3c(C)[nH]c4nccc(Cl)c34)cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 5/20 0.50
▸ JAK3 P52333 1/20 0.48
▸ EGFR P00533 13/20 0.44
▸ ITK Q08881 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ BTK Q06187 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL21747995 0.90 FGFR4 (0.49) FGFR4JAK3EGFRITKALK
SCHEMBL21747911 0.90 FGFR4 (0.48) FGFR4JAK3EGFRITKALK
SCHEMBL21761299 0.87 FGFR4 (0.46) FGFR4JAK3EGFRITKALK
SCHEMBL21760329 0.85 BTK (0.52) FGFR4JAK3EGFRITKBTK
SCHEMBL21761373 0.84 EGFR (0.41) FGFR4JAK3EGFRALKBTK
SCHEMBL21747832 0.84 FGFR4 (0.44) FGFR4JAK3EGFRITKALK
SCHEMBL30090199 0.84 ERBB2 (0.47) FGFR4JAK3EGFRALKMAPKAPK2
SCHEMBL21747968 0.84 ERBB2 (0.47) FGFR4JAK3EGFRALKMAPKAPK2
SCHEMBL30090257 0.84 FGFR4 (0.44) FGFR4JAK3EGFRITKALK
SCHEMBL21761347 0.83 BTK (0.53) FGFR4JAK3EGFRALKBTK

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-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 — — EP disclosed
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