SCHEMBL28654079

SCHEMBL28654079

CC(=O)OCCN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.84

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
SCHEMBL28404439 0.94 IRAK4 (0.84) IRAK4
SCHEMBL29935165 0.91 IRAK4 (1.00) IRAK4
SCHEMBL19045411 0.91 IRAK4 (1.00) IRAK4
SCHEMBL19030391 0.91 IRAK4 (1.00) IRAK4
SCHEMBL19046307 0.91 IRAK4 (0.88) IRAK4
SCHEMBL20594241 0.90 IRAK4 (0.87) IRAK4
SCHEMBL20594263 0.90 IRAK4 (0.84) IRAK4
SCHEMBL19030675 0.90 IRAK4 (1.00) IRAK4
SCHEMBL19030417 0.90 IRAK4 (1.00) IRAK4
SCHEMBL20594496 0.89 IRAK4 (0.85) 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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