SCHEMBL24969147

SCHEMBL24969147

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.54
ERBB2 P04626 3/20 0.54
ERBB4 Q15303 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.54
ITK Q08881 4/20 0.48
PPIF P30405 1/20 0.47
PPIA P62937 1/20 0.46
LRRK2 Q5S007 2/20 0.45
MAOB P27338 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
SCHEMBL24969094 0.89 EGFR (0.61) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL24968812 0.87 EGFR (0.54) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL24968503 0.87 EGFR (0.52) EGFRERBB2ERBB4MRGPRX4ITK
SCHEMBL30152264 0.87 EGFR (0.52) EGFRERBB2ERBB4MRGPRX4ITK
SCHEMBL24969052 0.87 EGFR (0.55) EGFRERBB2ERBB4MRGPRX4ITK
SCHEMBL24969100 0.86 EGFR (0.47) EGFRERBB2ERBB4ITKLRRK2
SCHEMBL24969151 0.85 S1PR1 (0.52) EGFRERBB2ERBB4MRGPRX4ITK
SCHEMBL24968513 0.84 DHODH (0.50) EGFRERBB2ERBB4ITK
SCHEMBL24969149 0.84 EGFR (0.48) EGFRERBB2ERBB4MRGPRX4ITK
SCHEMBL24969106 0.84 EGFR (0.48) EGFRERBB2ERBB4MRGPRX4ITK

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