SCHEMBL29153756

SCHEMBL29153756

[CH2][C@@H]1CCCN(c2c(N)cc3c(c2C#N)OC(C)(C)C3)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 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
SCHEMBL29153768 0.90
SCHEMBL29153744 0.83
SCHEMBL29153754 0.83 ALDH1A1 (0.37) IRAK4
SCHEMBL19030638 0.79 IRAK4 (0.49) IRAK4
SCHEMBL29153765 0.74 ALDH1A1 (0.36)
SCHEMBL30862500 0.71 HDAC2 (0.34) IRAK4
SCHEMBL30862505 0.68 EGFR (0.31)
SCHEMBL29153758 0.67 MEN1 (0.37)
SCHEMBL29153751 0.67 ALDH1A1 (0.35)
SCHEMBL29153746 0.66 MEN1 (0.36) 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-117510497-A DGK zeta inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed