SCHEMBL19046124

SCHEMBL19046124

Cc1cc2c(cc1[C@@H]1C[C@H]1C(N)=O)OC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 18/20 0.51
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL19045694 0.87 IRAK4 (0.51) IRAK4HTR2A
SCHEMBL19030426 0.87 IRAK4 (0.51) IRAK4HTR2A
SCHEMBL23277915 0.87 IRAK4 (0.51) IRAK4HTR2A
SCHEMBL19046127 0.84 IRAK4 (0.49) IRAK4HTR2A
SCHEMBL23277961 0.84 IRAK4 (0.49) IRAK4HTR2A
SCHEMBL19046134 0.84 IRAK4 (0.60) IRAK4
SCHEMBL19030491 0.82 IRAK4 (0.47) IRAK4HTR2A
SCHEMBL19046129 0.77 IRAK4 (0.47) IRAK4HTR2A
SCHEMBL19030319 0.74 IRAK4 (0.52) IRAK4HTR2A
SCHEMBL19046422 0.73 IRAK4 (0.44) IRAK4HTR2A

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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