SCHEMBL21949075

SCHEMBL21949075

C[S+]([O-])C1CCC(NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC2CCOCC2)CC1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.82

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
SCHEMBL16873428 0.90 IRAK4 (1.00) IRAK4
SCHEMBL16873431 0.90 IRAK4 (1.00) IRAK4
SCHEMBL21949610 0.89 IRAK4 (0.85) IRAK4
SCHEMBL16873296 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16873070 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16873069 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16873294 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16872950 0.85 IRAK4 (1.00) IRAK4
SCHEMBL16872949 0.85 IRAK4 (1.00) IRAK4
SCHEMBL21949077 0.84 IRAK4 (0.85) 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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