SCHEMBL28555183

SCHEMBL28555183

Nc1cc(-c2nc(C(=O)Nc3cc4c(cc3-c3ccncc3)OC3(CCN(C(=O)C(F)(F)F)CC3)C4)co2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.61

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
SCHEMBL23110629 0.89 IRAK4 (0.73) IRAK4
Trifluoroacetic Acid SCHEMBL28559266 0.88 IRAK4 (0.61) IRAK4
SCHEMBL23110402 0.86 IRAK4 (0.66) IRAK4
SCHEMBL23093796 0.82 IRAK4 (0.86) IRAK4
SCHEMBL23110469 0.81 IRAK4 (0.75) IRAK4
Trifluoroacetic Acid SCHEMBL28911951 0.80 IRAK4 (0.72) IRAK4
SCHEMBL23110407 0.78 IRAK4 (0.79) IRAK4
SCHEMBL23110405 0.76 IRAK4 (0.78) IRAK4
SCHEMBL23110408 0.76 IRAK4 (1.00) IRAK4
SCHEMBL30090093 0.76 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
CN-112480101-A IRAK4 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2021-03-12 — — CN disclosed
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