SCHEMBL24969129

SCHEMBL24969129

C=CC(=O)Nc1cc(F)c(OCc2cccc(F)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.54
ERBB2 P04626 10/20 0.54
ERBB4 Q15303 3/20 0.54
TEK Q02763 2/20 0.48
JAK3 P52333 2/20 0.46
SGMS2 Q8NHU3 1/20 0.46
LRRK2 Q5S007 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KDR P35968 1/20 0.42
NR4A2 P43354 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL24969131 0.82 EGFR (0.52) EGFRERBB2ERBB4TEKJAK3
SCHEMBL24969094 0.82 EGFR (0.61) EGFRERBB2ERBB4TEKJAK3
SCHEMBL24968809 0.78 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL30152295 0.78 EGFR (0.50) EGFRERBB2ERBB4TEKJAK3
SCHEMBL24969130 0.78 EGFR (0.50) EGFRERBB2ERBB4TEKJAK3
SCHEMBL24968811 0.76 EGFR (0.59) EGFRERBB2ERBB4JAK3LRRK2
SCHEMBL24968494 0.75 NR4A2 (0.59) EGFRERBB2ERBB4NR4A2
SCHEMBL691623 0.75 EGFR (0.82) EGFRERBB2ERBB4
SCHEMBL24968496 0.75 MAOB (0.57) EGFRNR4A2
SCHEMBL24969077 0.75 EGFR (0.58) EGFRERBB2ERBB4KDM4E

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