SCHEMBL30596052

SCHEMBL30596052

CC(C)Oc1cc2c(Cl)nccc2cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.53
XDH P47989 4/20 0.45

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
SCHEMBL17137232 1.00 IRAK4 (0.53) IRAK4XDH
SCHEMBL17137729 0.86 IRAK4 (0.41) IRAK4XDH
SCHEMBL17136997 0.85 IRAK4 (0.51) IRAK4
SCHEMBL30497336 0.85 IRAK4 (0.51) IRAK4
SCHEMBL18553871 0.84 IRAK4 (0.53) IRAK4XDH
SCHEMBL17137104 0.82 IRAK4 (0.40) IRAK4
SCHEMBL17137611 0.82 TDP1 (0.42) IRAK4XDH
SCHEMBL17136869 0.81 IRAK4 (0.43) IRAK4
SCHEMBL17137683 0.81 IRAK4 (0.37) IRAK4XDH
SCHEMBL17137481 0.79 SRC (0.43) IRAK4

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-2023192479-A1 TRICYCLIC IRAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed