SCHEMBL23905273

SCHEMBL23905273

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)C(=O)NCC(F)F)C(F)(F)F)cc2cc(C#N)cnc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.33
IRAK4 Q9NWZ3 18/20 0.32

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
SCHEMBL23905866 0.92 IRAK4 (0.32) IRAK4
SCHEMBL23905285 0.91 GABRA5 (0.30)
SCHEMBL25116212 0.91 IRAK4 (0.32) IRAK4
SCHEMBL23904806 0.90 IRAK4 (0.33) IRAK4
SCHEMBL23905255 0.89 CFTR (0.30)
SCHEMBL23904836 0.87 GABRA5 (0.30) IRAK4
SCHEMBL23905726 0.86 BACE1 (0.32) IRAK4
SCHEMBL25116292 0.86 GPR6 (0.33) IRAK4
SCHEMBL23905275 0.86 IRAK4 (0.30) IRAK4
SCHEMBL23905277 0.85 GABRA5 (0.31)

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
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed