SCHEMBL24969059

SCHEMBL24969059

C=CC(=O)Nc1ccc(C2COc3ccccc3N2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.42
ITK Q08881 9/20 0.39
BTK Q06187 3/20 0.39
TGM2 P21980 3/20 0.39
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL24969123 0.81 BRD4 (0.42)
SCHEMBL30152193 0.81 BRD4 (0.42)
SCHEMBL24969061 0.80 EGFR (0.44) EGFRBTKTGM2NPC1TP53
SCHEMBL24969062 0.78 MAOB (0.44) EGFRITKBTKTGM2
SCHEMBL30152292 0.78 MAOB (0.44) EGFRITKBTKTGM2
SCHEMBL24968466 0.77 CYP19A1 (0.57) EGFRTGM2
SCHEMBL24969126 0.74 KDM1A (0.40) RAB9A
SCHEMBL30152247 0.74 KDM1A (0.40) RAB9A
SCHEMBL24969124 0.74 GAA (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL24968851 0.68 TGM2 (0.42) EGFRITKTGM2

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 2 patents. 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
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed