SCHEMBL24969142

SCHEMBL24969142

C=CC(=O)Nc1ccc(OCC2CCCC(C(F)(F)F)C2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.44
ITK Q08881 7/20 0.44
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
MET P08581 1/20 0.43
EPHX2 P34913 3/20 0.40
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL24968543 0.88 BRAF (0.45) EGFRITKBRAFKDRMET
SCHEMBL24968542 0.85 EGFR (0.49) EGFRITKBRAFKDRMET
SCHEMBL24968537 0.79 P2RX4 (0.51) EGFRITK
SCHEMBL24968822 0.79 SCN9A (0.47) EGFRITKBRAFKDRMET
SCHEMBL24968534 0.79 EGFR (0.46) EGFRITKBRAFKDRMET
SCHEMBL24969099 0.73 EGFR (0.52) EGFRITKBRAFKDREPHX2
SCHEMBL24969092 0.72 EGFR (0.51) EGFRITKBRAFKDREPHX2
SCHEMBL20209233 0.71 EGFR (0.52) EGFRITKBRAFKDRMET
SCHEMBL22069711 0.70 L3MBTL1 (0.47) METEPHX2SCN8ASCN10AFLT3
SCHEMBL24969095 0.69 EGFR (0.50) EGFRITKMET

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