SCHEMBL28670293

SCHEMBL28670293

Nc1cc2c(cc1N1CCOCC1)OC1(CCNCC1)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 14/20 0.48
▸ LGMN Q99538 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19030334 0.90 IRAK4 (0.45) IRAK4LGMNKDM4EALDH1A1LMNA
SCHEMBL19030064 0.86 IRAK4 (0.47) IRAK4LGMNKDM4EALDH1A1LMNA
SCHEMBL19046031 0.82 IRAK4 (0.50) IRAK4LGMNKDM4EALDH1A1LMNA
SCHEMBL19029902 0.81 IRAK4 (0.42) IRAK4SMN1; SMN2
SCHEMBL19029997 0.81 IRAK4 (0.47) IRAK4LGMNKDM4EALDH1A1LMNA
SCHEMBL19030771 0.81 IRAK4 (0.49) IRAK4LGMNKDM4EALDH1A1LMNA
SCHEMBL19029917 0.80 IRAK4 (0.52) IRAK4LGMNKDM4EALDH1A1
SCHEMBL28655900 0.80 IRAK4 (0.47) IRAK4KDM4EALDH1A1LMNAGAA
SCHEMBL19030684 0.79 LGMN (0.45) IRAK4LGMN
SCHEMBL23110742 0.78 IRAK4 (0.40) IRAK4KDM4EALDH1A1LMNA

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
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN disclosed
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