SCHEMBL28663729

SCHEMBL28663729

CC1(C2CC2)Cc2cc(N)c(N3CC[C](F)CC3)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.37
▸ GPR119 Q8TDV5 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ PTK2B Q14289 1/20 0.30

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
SCHEMBL19030607 0.85 LGMN (0.43) IRAK4ALDH1A1KDM4E
SCHEMBL19030336 0.83 IRAK4 (0.53) IRAK4
SCHEMBL19029944 0.81 IRAK4 (0.53) IRAK4
SCHEMBL19046020 0.70 IRAK4 (0.42) IRAK4ALDH1A1L3MBTL1GAAMAPT
SCHEMBL19030562 0.68 IRAK4 (0.48) IRAK4ALDH1A1KDM4E
SCHEMBL19030256 0.68 IRAK4 (0.51) IRAK4
SCHEMBL19030789 0.68 HIF1A (0.36) IRAK4ALDH1A1
SCHEMBL30090056 0.68 IRAK4 (0.51) IRAK4
SCHEMBL19029913 0.68 IRAK4 (0.51) IRAK4
SCHEMBL19030433 0.67 MAPT (0.49) ALDH1A1L3MBTL1KDM4EGAAMAPT

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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