SCHEMBL23905973

SCHEMBL23905973

O=C(NCC(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(CF)CF)C1CC1)c1cc(OC2CC2)c2ncc(Cl)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.32
AR P10275 1/20 0.30
IP6K1 Q92551 1/20 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
SCHEMBL23905623 0.95 IRAK4 (0.32) IRAK4AR
SCHEMBL23904705 0.90
SCHEMBL23905301 0.84 IP6K1 (0.31) IRAK4ARIP6K1
SCHEMBL23904706 0.82
SCHEMBL23905281 0.80
SCHEMBL23196168 0.80 AR (0.34) AR
SCHEMBL23195972 0.78 TP53 (0.32)
SCHEMBL23905961 0.78 MAPT (0.32) IRAK4
SCHEMBL23905655 0.77 ADRA1D (0.31)
SCHEMBL23717442 0.76 SLC5A7 (0.33)

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