SCHEMBL28241796

SCHEMBL28241796

CC1(CO)Cc2ccc(N3CCC(CO)CC3)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.44

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
SCHEMBL19029928 0.79 IRAK4 (0.51) IRAK4
SCHEMBL30090141 0.79 IRAK4 (0.51) IRAK4
SCHEMBL19030045 0.74 IRAK4 (0.49) IRAK4
SCHEMBL19045997 0.74 IRAK4 (0.55) IRAK4
SCHEMBL24206625 0.71 GAA (0.57) —
SCHEMBL14747899 0.69 ADRB1 (0.42) —
SCHEMBL30066216 0.68 ADRB1 (0.41) —
SCHEMBL24670695 0.68 ADRB1 (0.41) —
SCHEMBL19045021 0.68 IRAK4 (0.42) IRAK4
SCHEMBL10974562 0.66 CYP2D6 (0.39) 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-A Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents 豪夫迈·罗氏有限公司 2018-08-31 — — CN disclosed
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