SCHEMBL28663720

SCHEMBL28663720

CC(C)(C)OC(=O)N1CCCC1COc1cc2c(cc1Nc1cnn3cccnc13)CC(C)(C)O2

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.59

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
SCHEMBL19046239 0.90 IRAK4 (0.74) IRAK4
SCHEMBL29935111 0.90 IRAK4 (0.74) IRAK4
SCHEMBL20531319 0.81 IRAK4 (0.79) IRAK4
SCHEMBL20531375 0.81 IRAK4 (0.79) IRAK4
SCHEMBL28670059 0.77 ALOX5AP (0.41) IRAK4
SCHEMBL19046026 0.77 ALOX5AP (0.41) IRAK4
SCHEMBL29935102 0.77 ALOX5AP (0.41) IRAK4
SCHEMBL19046025 0.76 F2RL3 (0.39) IRAK4
SCHEMBL28663618 0.75 F2RL3 (0.38) IRAK4
SCHEMBL28663614 0.75 F2RL3 (0.38) 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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