SCHEMBL24968448

SCHEMBL24968448

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
ERBB2 P04626 4/20 0.56
ERBB4 Q15303 2/20 0.56
MRGPRX4 Q96LA9 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
SCHEMBL30152371 1.00 EGFR (0.56) EGFRERBB2ERBB4MRGPRX4
SCHEMBL30152313 0.87 EGFR (0.47) EGFRERBB2ERBB4MRGPRX4
SCHEMBL24968481 0.87 EGFR (0.47) EGFRERBB2ERBB4MRGPRX4
SCHEMBL24968472 0.86 EGFR (0.45) EGFRERBB2ERBB4MRGPRX4
SCHEMBL24969094 0.86 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL24968811 0.84 EGFR (0.59) EGFRERBB2ERBB4MRGPRX4
SCHEMBL24968809 0.84 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL24969077 0.83 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL24969076 0.82 EGFR (0.57) EGFRERBB2ERBB4MRGPRX4
SCHEMBL24969149 0.81 EGFR (0.48) EGFRERBB2ERBB4MRGPRX4

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