SCHEMBL19045121

SCHEMBL19045121

CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CC4C(C(N)=O)[C@H]4C3)cc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL23277904 1.00 IRAK4 (1.00) IRAK4
SCHEMBL19045115 1.00 IRAK4 (1.00) IRAK4
SCHEMBL20531320 1.00 IRAK4 (1.00) IRAK4
SCHEMBL20531323 1.00 IRAK4 (1.00) IRAK4
SCHEMBL23277877 1.00 IRAK4 (1.00) IRAK4
SCHEMBL20531264 0.92 IRAK4 (1.00) IRAK4
SCHEMBL20531263 0.92 IRAK4 (1.00) IRAK4
SCHEMBL23277882 0.92 IRAK4 (1.00) IRAK4
SCHEMBL19046221 0.92 IRAK4 (1.00) IRAK4
SCHEMBL19045113 0.92 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
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
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