SCHEMBL23904806

SCHEMBL23904806

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.33
HPGDS O60760 1/20 0.33
GABRA5 P31644 4/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GPR6 P46095 2/20 0.32
CFTR P13569 3/20 0.32
BACE1 P56817 3/20 0.31
DGAT2 Q96PD7 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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 0.94 IRAK4 (0.32) IRAK4HPGDSGABRA5GPR6CFTR
SCHEMBL25116212 0.93 IRAK4 (0.32) IRAK4HPGDSGABRA5GPR6CFTR
SCHEMBL23905726 0.92 BACE1 (0.32) IRAK4HPGDSGABRA5GPR6CFTR
SCHEMBL24988033 0.91 GABRA5 (0.35) GABRA5ALOX5PTGS1PTGS2CFTR
SCHEMBL23905273 0.90 LRRK2 (0.33) IRAK4
SCHEMBL24345459 0.87 POLB (0.39) HPGDSGABRA5ALOX5PTGS1PTGS2
SCHEMBL23905522 0.87 CFTR (0.33) GABRA5CFTR
SCHEMBL23905348 0.87 GABRA5 (0.32) GABRA5CFTR
SCHEMBL24984721 0.87 PTGS1 (0.34) GABRA5ALOX5PTGS1PTGS2
SCHEMBL25116292 0.86 GPR6 (0.33) IRAK4GPR6

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