SCHEMBL17193182

SCHEMBL17193182

CNC(=O)CC1CCC(NC(=O)c2cnc(-n3ncc4cc(C#N)cnc43)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
SCHEMBL16887706 1.00 IRAK4 (1.00) IRAK4
SCHEMBL16873432 0.89 IRAK4 (1.00) IRAK4
SCHEMBL16873435 0.89 IRAK4 (1.00) IRAK4
SCHEMBL16873042 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16873040 0.88 IRAK4 (1.00) IRAK4
SCHEMBL21948694 0.88 IRAK4 (0.87) IRAK4
SCHEMBL16874009 0.87 IRAK4 (1.00) IRAK4
SCHEMBL16873965 0.87 IRAK4 (1.00) IRAK4
SCHEMBL16873967 0.87 IRAK4 (1.00) IRAK4
SCHEMBL16874006 0.86 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
US-9169252-B2 Heteroaryl substituted nicotinamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 — — US claimed
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