SCHEMBL28650781

SCHEMBL28650781

CC1(C)Cc2cc(-n3nccc3CC3CCNC3=O)c(C3CC3)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.53

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
SCHEMBL28650013 0.84 IRAK4 (0.54) IRAK4
SCHEMBL19030551 0.70 IRAK4 (1.00) IRAK4
SCHEMBL19030240 0.70 IRAK4 (1.00) IRAK4
SCHEMBL28655169 0.68 IRAK4 (0.53) IRAK4
SCHEMBL19046422 0.63 IRAK4 (0.44) IRAK4
SCHEMBL19030619 0.62 IRAK4 (0.46) IRAK4
SCHEMBL19046097 0.60 IRAK4 (0.52) IRAK4
SCHEMBL19030289 0.60 IRAK4 (0.42) IRAK4
SCHEMBL1740813 0.58 HTR1F (0.40) —
SCHEMBL19030736 0.56 IRAK4 (0.42) 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
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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