SCHEMBL24969100

SCHEMBL24969100

C=CC(=O)Nc1ccc(OCc2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.47
ERBB2 P04626 2/20 0.46
ERBB4 Q15303 1/20 0.46
ITK Q08881 4/20 0.46
TGM2 P21980 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR4 P22455 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PPARA Q07869 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MET P08581 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
SCHEMBL24969095 0.88 EGFR (0.50) EGFRERBB2ERBB4ITKTGM2
SCHEMBL24968472 0.87 EGFR (0.45) EGFRERBB2ERBB4FGFR1FGFR4
SCHEMBL24968812 0.86 EGFR (0.54) EGFRERBB2ERBB4ITKTGM2
SCHEMBL24969147 0.86 EGFR (0.54) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL24969094 0.86 EGFR (0.61) EGFRERBB2ERBB4ITKTGM2
SCHEMBL24968859 0.84 EGFR (0.51) EGFRERBB2ERBB4ITKTGM2
SCHEMBL24968503 0.84 EGFR (0.52) EGFRERBB2ERBB4ITKMET
SCHEMBL30152264 0.84 EGFR (0.52) EGFRERBB2ERBB4ITKMET
SCHEMBL24969052 0.84 EGFR (0.55) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL24968836 0.83 EGFR (0.49) EGFRERBB2ERBB4ITKMET

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed