SCHEMBL23905866

SCHEMBL23905866

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(=O)O)C(F)(F)F)cc2cc(C#N)cnc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.32
GABRA5 P31644 3/20 0.31
HPGDS O60760 1/20 0.31
BACE1 P56817 3/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GPR6 P46095 1/20 0.31
CFTR P13569 2/20 0.30

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
SCHEMBL25116212 0.94 IRAK4 (0.32) IRAK4GABRA5HPGDSBACE1BACE2
SCHEMBL23904806 0.94 IRAK4 (0.33) IRAK4GABRA5HPGDSBACE1BACE2
SCHEMBL23905273 0.92 LRRK2 (0.33) IRAK4
SCHEMBL23905726 0.90 BACE1 (0.32) IRAK4GABRA5HPGDSBACE1GPR6
SCHEMBL24986796 0.88 POLB (0.37) GABRA5BACE1BACE2CFTR
SCHEMBL25116292 0.88 GPR6 (0.33) IRAK4GPR6
SCHEMBL24985910 0.87 CFTR (0.33) GABRA5CFTR
SCHEMBL24985908 0.87 CFTR (0.33) GABRA5CFTR
SCHEMBL24986117 0.85 GABRA5 (0.34) GABRA5CFTR
SCHEMBL24986121 0.85 GABRA5 (0.34) GABRA5CFTR

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