SCHEMBL24969149

SCHEMBL24969149

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.48
ERBB2 P04626 3/20 0.48
ERBB4 Q15303 1/20 0.48
RORC P51449 1/20 0.48
XDH P47989 1/20 0.47
LRRK2 Q5S007 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
ITK Q08881 3/20 0.46
MRGPRX4 Q96LA9 6/20 0.46
PPIA P62937 1/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 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
SCHEMBL30152367 0.90 EGFR (0.48) EGFRERBB2ERBB4ITKMRGPRX4
SCHEMBL24969106 0.90 EGFR (0.48) EGFRERBB2ERBB4ITKMRGPRX4
SCHEMBL24969094 0.86 EGFR (0.61) EGFRERBB2ERBB4LRRK2SGMS2
SCHEMBL24968812 0.84 EGFR (0.54) EGFRERBB2ERBB4LRRK2ITK
SCHEMBL24968503 0.84 EGFR (0.52) EGFRERBB2ERBB4ITKMRGPRX4
SCHEMBL30152264 0.84 EGFR (0.52) EGFRERBB2ERBB4ITKMRGPRX4
SCHEMBL24969147 0.84 EGFR (0.54) EGFRERBB2ERBB4LRRK2ITK
SCHEMBL24969052 0.84 EGFR (0.55) EGFRERBB2ERBB4LRRK2ITK
SCHEMBL24968835 0.82 EGFR (0.43) EGFRERBB2ERBB4ITK
SCHEMBL24969151 0.82 S1PR1 (0.52) EGFRERBB2ERBB4LRRK2ITK

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