SCHEMBL24968534

SCHEMBL24968534

C=CC(=O)Nc1ccc(OCC2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.46
ITK Q08881 6/20 0.46
SCN9A Q15858 7/20 0.44
SCN5A Q14524 3/20 0.44
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MET P08581 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
SCHEMBL24968810 0.88 SCN9A (0.41) EGFRITKSCN9ASCN5A
SCHEMBL24968542 0.88 EGFR (0.49) EGFRITKBRAFKDRMET
SCHEMBL24968822 0.88 SCN9A (0.47) EGFRITKSCN9ABRAFKDR
SCHEMBL24968806 0.86 TBK1 (0.42) SCN9ASCN5A
SCHEMBL24968537 0.86 P2RX4 (0.51) EGFRITKSCN9A
SCHEMBL24968847 0.85 SCN9A (0.44) SCN9ASCN5AMET
SCHEMBL24968543 0.84 BRAF (0.45) EGFRITKSCN9ABRAFKDR
SCHEMBL28426333 0.83 EGFR (0.49) EGFRITKSCN9ABRAFKDR
SCHEMBL24969053 0.80 EGFR (0.46) EGFRITKBRAFKDR
SCHEMBL24969057 0.80 SCN9A (0.44) SCN9ASCN5A

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