SCHEMBL19046127

SCHEMBL19046127

CC1(C)Cc2cc(N=O)c([C@@H]3C[C@H]3C(N)=O)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 13/20 0.49
▸ HTR2A P28223 1/20 0.32

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
SCHEMBL23277961 1.00 IRAK4 (0.49) IRAK4HTR2A
SCHEMBL23277920 0.89 IRAK4 (0.39) IRAK4HTR2A
SCHEMBL19046113 0.89 IRAK4 (0.39) IRAK4HTR2A
SCHEMBL23277962 0.89 IRAK4 (0.39) IRAK4HTR2A
SCHEMBL19045683 0.89 IRAK4 (0.39) IRAK4HTR2A
SCHEMBL19046104 0.89 IRAK4 (0.39) IRAK4HTR2A
SCHEMBL19045702 0.86 IRAK4 (0.51) IRAK4
SCHEMBL23277915 0.84 IRAK4 (0.51) IRAK4HTR2A
SCHEMBL19030426 0.84 IRAK4 (0.51) IRAK4HTR2A
SCHEMBL19046124 0.84 IRAK4 (0.51) 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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