SCHEMBL24968481

SCHEMBL24968481

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
LRRK2 Q5S007 2/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
TGM2 P21980 1/20 0.44
NR4A2 P43354 1/20 0.44
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43

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
SCHEMBL30152313 1.00 EGFR (0.47) EGFRLRRK2MAOBALDH1A1GAA
SCHEMBL30152371 0.87 EGFR (0.56) EGFRMRGPRX4ERBB2ERBB4
SCHEMBL24968448 0.87 EGFR (0.56) EGFRMRGPRX4ERBB2ERBB4
SCHEMBL24968478 0.87 TGM2 (0.43) EGFRLRRK2TGM2
SCHEMBL24969151 0.86 S1PR1 (0.52) EGFRLRRK2MAOBALDH1A1GAA
SCHEMBL24968472 0.82 EGFR (0.45) EGFRALDH1A1MRGPRX4ERBB2ERBB4
SCHEMBL24968495 0.80 NR4A2 (0.52) MAOBL3MBTL1MRGPRX4NR4A2FFAR4
SCHEMBL23591751 0.78 L3MBTL1 (0.50) MAOBALDH1A1GAAL3MBTL1MRGPRX4
SCHEMBL29824938 0.78 L3MBTL1 (0.50) MAOBALDH1A1GAAL3MBTL1MRGPRX4
SCHEMBL24969149 0.77 EGFR (0.48) EGFRLRRK2MRGPRX4ERBB2ERBB4

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