SCHEMBL23744953

SCHEMBL23744953

CC(C)(C)OC(=O)Nc1cn(C2CCCCC2)nc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
ACHE P22303 2/20 0.36
IRAK4 Q9NWZ3 10/20 0.35
EPHX1 P07099 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DGAT1 O75907 1/20 0.34
ALOX5AP P20292 1/20 0.34
RORC P51449 1/20 0.33
GAA P10253 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL25339817 0.88 GFER (0.33) IRAK4RORC
SCHEMBL25969170 0.88 GFER (0.33) IRAK4RORC
SCHEMBL23744954 0.87 GFER (0.33) IRAK4RORC
SCHEMBL21996690 0.87 GFER (0.33) IRAK4RORC
SCHEMBL25969140 0.87 AAK1 (0.34) IRAK4RORC
SCHEMBL25338181 0.87 AAK1 (0.34) IRAK4RORC
SCHEMBL23744955 0.87 IRAK4 (0.39) IRAK4RORC
SCHEMBL25339977 0.87 GFER (0.33) IRAK4RORC
SCHEMBL21997531 0.87 IRAK4 (0.39) IRAK4RORC
SCHEMBL25969171 0.87 AAK1 (0.34) IRAK4RORC

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-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed