SCHEMBL24969052

SCHEMBL24969052

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.55
MRGPRX4 Q96LA9 1/20 0.54
ITK Q08881 4/20 0.50
ERBB2 P04626 3/20 0.50
ERBB4 Q15303 1/20 0.50
FFAR1 O14842 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
LRRK2 Q5S007 1/20 0.45
FFAR4 Q5NUL3 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
SCHEMBL24968503 0.89 EGFR (0.52) EGFRMRGPRX4ITKERBB2ERBB4
SCHEMBL30152264 0.89 EGFR (0.52) EGFRMRGPRX4ITKERBB2ERBB4
SCHEMBL24969094 0.89 EGFR (0.61) EGFRITKERBB2ERBB4LRRK2
SCHEMBL24968812 0.87 EGFR (0.54) EGFRITKERBB2ERBB4FFAR1
SCHEMBL24969147 0.87 EGFR (0.54) EGFRMRGPRX4ITKERBB2ERBB4
SCHEMBL24968837 0.85 EGFR (0.49) EGFRITKERBB2ERBB4FFAR1
SCHEMBL24969151 0.85 S1PR1 (0.52) EGFRMRGPRX4ITKERBB2ERBB4
SCHEMBL24969149 0.84 EGFR (0.48) EGFRMRGPRX4ITKERBB2ERBB4
SCHEMBL24969106 0.84 EGFR (0.48) EGFRMRGPRX4ITKERBB2ERBB4
SCHEMBL30152367 0.84 EGFR (0.48) EGFRMRGPRX4ITKERBB2ERBB4

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