SCHEMBL26528553

SCHEMBL26528553

c1nc(NC2CCCCC2)c2c(C3CCOCC3)c[nH]c2n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.73
IRAK2 O43187 1/20 0.73
CLK1 P49759 1/20 0.73
CLK2 P49760 1/20 0.73
IRAK1 P51617 1/20 0.73
HASPIN Q8TF76 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
IRAK3 Q9Y616 1/20 0.73
JAK3 P52333 1/20 0.53

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
SCHEMBL26528461 0.91 IRAK4 (0.75) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21069405 0.89 IRAK4 (0.76) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21106847 0.89 IRAK4 (0.76) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL30241971 0.89 IRAK4 (0.76) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL24379901 0.88 IRAK4 (0.78) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21106437 0.88 IRAK4 (0.78) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21069630 0.88 IRAK4 (0.78) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21106962 0.87 IRAK4 (0.73) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL23763239 0.85 IRAK4 (1.00) IRAK4IRAK2CLK1CLK2IRAK1
SCHEMBL21105720 0.85 IRAK4 (1.00) IRAK4IRAK2CLK1CLK2IRAK1

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-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
WO-2023192586-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed