SCHEMBL24969094

SCHEMBL24969094

C=CC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.61
ERBB2 P04626 4/20 0.61
ERBB4 Q15303 1/20 0.61
ITK Q08881 4/20 0.49
LRRK2 Q5S007 1/20 0.47
JAK3 P52333 1/20 0.46
TGM2 P21980 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
TEK Q02763 1/20 0.45

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 0.90 EGFR (0.50) EGFRERBB2ERBB4ITKTGM2
SCHEMBL24968812 0.89 EGFR (0.54) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL24969052 0.89 EGFR (0.55) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL30152264 0.89 EGFR (0.52) EGFRERBB2ERBB4ITK
SCHEMBL24968503 0.89 EGFR (0.52) EGFRERBB2ERBB4ITK
SCHEMBL24968811 0.89 EGFR (0.59) EGFRERBB2ERBB4LRRK2JAK3
SCHEMBL24968809 0.89 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL24969147 0.89 EGFR (0.54) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL24969077 0.88 EGFR (0.58) EGFRERBB2ERBB4ITK
SCHEMBL24969151 0.87 S1PR1 (0.52) EGFRERBB2ERBB4ITKLRRK2

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