SCHEMBL21949073

SCHEMBL21949073

CC(=O)NC1CCC(NC(=O)c2cnc(-n3ccc4cncnc43)cc2NC(C)C)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
SCHEMBL16873430 1.00 IRAK4 (1.00) IRAK4
SCHEMBL16873425 1.00 IRAK4 (1.00) IRAK4
SCHEMBL21949074 0.93 IRAK4 (0.87) IRAK4
SCHEMBL16873422 0.91 IRAK4 (1.00) IRAK4
SCHEMBL16873418 0.91 IRAK4 (1.00) IRAK4
SCHEMBL16873028 0.85 IRAK4 (1.00) IRAK4
SCHEMBL16873025 0.85 IRAK4 (1.00) IRAK4
SCHEMBL25649676 0.80 IRAK4 (0.89) IRAK4
SCHEMBL24607164 0.80 IRAK4 (0.70) IRAK4
SCHEMBL21949093 0.80 IRAK4 (0.89) 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-3089973-B1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 — — EP disclosed
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