SCHEMBL24969130

SCHEMBL24969130

C=CC(=O)Nc1cnc(OCc2cccc(F)c2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.50
ERBB2 P04626 3/20 0.50
ERBB4 Q15303 1/20 0.50
SGMS2 Q8NHU3 1/20 0.48
ITK Q08881 8/20 0.47
JAK3 P52333 1/20 0.45
TGM2 P21980 1/20 0.44
TEK Q02763 1/20 0.43
BTK Q06187 3/20 0.43
LRRK2 Q5S007 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
SCHEMBL30152295 1.00 EGFR (0.50) EGFRERBB2ERBB4SGMS2ITK
SCHEMBL24969094 0.82 EGFR (0.61) EGFRERBB2ERBB4SGMS2ITK
SCHEMBL30152279 0.81 SYK (0.47) SGMS2BTKLRRK2
SCHEMBL24968494 0.80 NR4A2 (0.59) EGFRERBB2ERBB4TGM2
SCHEMBL24969129 0.78 EGFR (0.54) EGFRERBB2ERBB4SGMS2JAK3
SCHEMBL15968627 0.76 LRRK2 (0.48) SGMS2LRRK2
SCHEMBL24968809 0.76 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL24968811 0.76 EGFR (0.59) EGFRERBB2ERBB4JAK3BTK
SCHEMBL24968496 0.75 MAOB (0.57) EGFR
SCHEMBL24969077 0.75 EGFR (0.58) EGFRERBB2ERBB4ITK

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