SCHEMBL30152264

SCHEMBL30152264

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.52
ITK Q08881 5/20 0.50
ERBB2 P04626 4/20 0.50
ERBB4 Q15303 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.46
MET P08581 1/20 0.44

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 1.00 EGFR (0.52) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL24969052 0.89 EGFR (0.55) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL24969094 0.89 EGFR (0.61) EGFRITKERBB2ERBB4
SCHEMBL24968812 0.87 EGFR (0.54) EGFRITKERBB2ERBB4MET
SCHEMBL24969151 0.87 S1PR1 (0.52) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL24969147 0.87 EGFR (0.54) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL24969149 0.84 EGFR (0.48) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL24969106 0.84 EGFR (0.48) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL30152367 0.84 EGFR (0.48) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL24969100 0.84 EGFR (0.47) EGFRITKERBB2ERBB4MET

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