SCHEMBL24969099

SCHEMBL24969099

C=CC(=O)Nc1ccc(OCCC(F)(F)F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.52
ITK Q08881 8/20 0.52
EPHX2 P34913 1/20 0.46
TGM2 P21980 2/20 0.46
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL24969092 0.94 EGFR (0.51) EGFRITKEPHX2TGM2BRAF
SCHEMBL28456327 0.84 EGFR (0.69) EGFRITKTGM2KDR
SCHEMBL24969095 0.79 EGFR (0.50) EGFRITKTGM2BRD4
SCHEMBL24968812 0.78 EGFR (0.54) EGFRITKTGM2
SCHEMBL24969097 0.77 EGFR (0.49) EGFRITKTGM2BRAFKDR
SCHEMBL24969100 0.77 EGFR (0.47) EGFRITKTGM2
SCHEMBL24969151 0.76 S1PR1 (0.52) EGFRITKTGM2BRAFKDR
SCHEMBL24968859 0.76 EGFR (0.51) EGFRITKTGM2KDR
SCHEMBL24969094 0.75 EGFR (0.61) EGFRITKTGM2
SCHEMBL24969098 0.75 TGM2 (0.51) EGFRITKTGM2BRD4

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