SCHEMBL28405614

SCHEMBL28405614

CC1(C)Cc2cc(N)c(N3CCN(C(COC(N)=O)C(C)(C)C)CC3)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.38

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
SCHEMBL28407980 0.87 MAPT (0.37) IRAK4
SCHEMBL28404453 0.80 IRAK4 (0.44) IRAK4
SCHEMBL28405615 0.79 IRAK4 (0.41) IRAK4
SCHEMBL23110713 0.78 IRAK4 (0.54) IRAK4
SCHEMBL30090077 0.78 IRAK4 (0.54) IRAK4
SCHEMBL20594546 0.77 SMARCA2 (0.45) IRAK4
SCHEMBL20594568 0.75 IRAK4 (0.43) IRAK4
SCHEMBL19030314 0.73 IRAK4 (0.43) IRAK4
SCHEMBL19030946 0.73 IRAK4 (0.51) IRAK4
SCHEMBL19046148 0.72 IRAK4 (0.51) 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-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 — — CN disclosed
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