SCHEMBL21949097

SCHEMBL21949097

C[C@@H](CO)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NCC(F)C(C)(C)O

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
SCHEMBL16873045 1.00 IRAK4 (1.00) IRAK4
SCHEMBL16873047 1.00 IRAK4 (1.00) IRAK4
SCHEMBL16873113 0.94 IRAK4 (1.00) IRAK4
SCHEMBL16873094 0.94 IRAK4 (1.00) IRAK4
SCHEMBL16873091 0.94 IRAK4 (1.00) IRAK4
SCHEMBL16873326 0.94 IRAK4 (1.00) IRAK4
SCHEMBL16873217 0.94 IRAK4 (1.00) IRAK4
SCHEMBL16873219 0.94 IRAK4 (1.00) IRAK4
SCHEMBL16873632 0.94 IRAK4 (1.00) IRAK4
SCHEMBL16873810 0.93 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-3089973-B1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 — — EP disclosed
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