SCHEMBL21370169

SCHEMBL21370169

CN(C)C1CCC(Nc2ncnc3ccc(Br)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL17652132 1.00 IRAK4 (1.00) IRAK4
SCHEMBL17651891 1.00 IRAK4 (1.00) IRAK4
SCHEMBL1585675 0.89 IRAK4 (0.86) IRAK4
SCHEMBL17652222 0.87 IRAK4 (1.00) IRAK4
SCHEMBL17652218 0.87 IRAK4 (1.00) IRAK4
SCHEMBL17653577 0.85 IRAK4 (1.00) IRAK4
SCHEMBL17656890 0.84 IRAK4 (1.00) IRAK4
SCHEMBL17652180 0.84 IRAK4 (1.00) IRAK4
SCHEMBL19180878 0.84 IRAK4 (1.00) IRAK4
SCHEMBL17652210 0.84 IRAK4 (1.00) 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
EP-3200788-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed