SCHEMBL24096728

SCHEMBL24096728

CC(C)(C)OC(=O)N1CC(Nc2nc(Br)c(C(F)(F)F)n3ccnc23)CCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 11/20 0.35
▸ JAK3 P52333 3/20 0.34
▸ IDH1 O75874 2/20 0.34
▸ IDH2 P48735 1/20 0.33
▸ MAPK9 P45984 1/20 0.32
▸ MAST3 O60307 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31

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
SCHEMBL24096714 1.00 MAPK8 (0.35) MAPK8JAK3IDH1IDH2MAPK9
SCHEMBL24096869 0.83 HDAC4 (0.46) IDH1HDAC4HDAC6USP30
SCHEMBL24096892 0.83 HDAC4 (0.46) IDH1HDAC4HDAC6USP30
SCHEMBL24096718 0.82 HDAC4 (0.34) IDH1SYKHDAC4HDAC6USP30
SCHEMBL24096721 0.82 HDAC4 (0.34) IDH1SYKHDAC4HDAC6USP30
SCHEMBL24096794 0.81 PIM1 (0.39) MAPK8JAK3IDH1MAST3
SCHEMBL24096793 0.81 PIM1 (0.39) MAPK8JAK3IDH1MAST3
SCHEMBL24096860 0.79 JAK3 (0.35) JAK3IDH1IDH2
SCHEMBL24096864 0.79 JAK3 (0.35) JAK3IDH1IDH2
SCHEMBL24096773 0.75 MAPK8 (0.41) MAPK8MAPK9MAST3

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
WO-2021249417-A1 HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF 赛诺哈勃药业(成都)有限公司 2021-12-16 — — WO disclosed
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