SCHEMBL21370184

SCHEMBL21370184

Cc1ccc2ncnc(NC3CCC(NC(C)C4CC4)CC3)c2c1

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
SCHEMBL19296734 1.00 IRAK4 (1.00) IRAK4
SCHEMBL17652183 1.00 IRAK4 (1.00) IRAK4
SCHEMBL17652186 1.00 IRAK4 (1.00) IRAK4
SCHEMBL21370183 0.89 IRAK4 (1.00) IRAK4
SCHEMBL17652199 0.89 IRAK4 (1.00) IRAK4
SCHEMBL19283413 0.89 IRAK4 (1.00) IRAK4
SCHEMBL21369484 0.85 IRAK4 (1.00) IRAK4
SCHEMBL19296737 0.85 IRAK4 (1.00) IRAK4
SCHEMBL19283379 0.85 IRAK4 (1.00) IRAK4
SCHEMBL19283378 0.85 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