SCHEMBL21949110

SCHEMBL21949110

CC(CO)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.83

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
SCHEMBL21948689 0.93 IRAK4 (0.88) IRAK4
SCHEMBL21949093 0.92 IRAK4 (0.89) IRAK4
SCHEMBL16873271 0.91 IRAK4 (1.00) IRAK4
SCHEMBL16873267 0.91 IRAK4 (1.00) IRAK4
SCHEMBL16873268 0.91 IRAK4 (1.00) IRAK4
Cyclopropane SCHEMBL16878892 0.89 IRAK4 (0.84) IRAK4
SCHEMBL24508743 0.88 IRAK4 (0.84) IRAK4
SCHEMBL29709746 0.88 IRAK4 (0.84) IRAK4
SCHEMBL21949048 0.86 IRAK4 (1.00) IRAK4
SCHEMBL16873208 0.86 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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