SCHEMBL21949143

SCHEMBL21949143

O=C(NC1CCCCC1)c1cnc(-n2ccc3cc(F)cnc32)cc1NC1CC1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.79

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
SCHEMBL24607166 0.89 IRAK4 (0.69) IRAK4
SCHEMBL17193176 0.89 IRAK4 (1.00) IRAK4
SCHEMBL16884109 0.89 IRAK4 (1.00) IRAK4
SCHEMBL21949077 0.86 IRAK4 (0.85) IRAK4
SCHEMBL24607164 0.84 IRAK4 (0.70) IRAK4
SCHEMBL24608427 0.82 IRAK4 (0.69) IRAK4
SCHEMBL29751464 0.82 IRAK4 (0.69) IRAK4
SCHEMBL24608428 0.82 IRAK4 (0.72) IRAK4
SCHEMBL29751427 0.82 IRAK4 (0.72) IRAK4
SCHEMBL21949610 0.81 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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