SCHEMBL24968543

SCHEMBL24968543

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
EGFR P00533 9/20 0.45
ITK Q08881 5/20 0.45
SCN9A Q15858 5/20 0.45
EPHX2 P34913 3/20 0.43
MET P08581 1/20 0.41
FLT3 P36888 1/20 0.41
TGM2 P21980 1/20 0.40

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
SCHEMBL24969142 0.88 EGFR (0.44) BRAFKDREGFRITKEPHX2
SCHEMBL24968542 0.87 EGFR (0.49) BRAFKDREGFRITKMET
SCHEMBL24968537 0.85 P2RX4 (0.51) EGFRITKSCN9A
SCHEMBL24968534 0.84 EGFR (0.46) BRAFKDREGFRITKSCN9A
SCHEMBL24968822 0.78 SCN9A (0.47) BRAFKDREGFRITKSCN9A
SCHEMBL24969099 0.76 EGFR (0.52) BRAFKDREGFRITKEPHX2
SCHEMBL24969092 0.75 EGFR (0.51) BRAFKDREGFRITKEPHX2
SCHEMBL20554330 0.74 PDE4D (0.48) KDREGFREPHX2MET
SCHEMBL20608945 0.74 PDE4D (0.48) KDREGFREPHX2MET
SCHEMBL20554331 0.74 PDE4D (0.48) KDREGFREPHX2MET

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