SCHEMBL24096718

SCHEMBL24096718

CC1(C)CC(Nc2nc(Br)c(C(F)(F)F)n3ccnc23)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ USP30 Q70CQ3 5/20 0.34
▸ RORC P51449 2/20 0.33
▸ POLR1A O95602 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ FPR3 P25089 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32

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
SCHEMBL24096721 1.00 HDAC4 (0.34) HDAC4HDAC6SYKIDH1USP30
SCHEMBL24096892 0.85 HDAC4 (0.46) HDAC4HDAC6IDH1USP30ADORA1
SCHEMBL24096869 0.85 HDAC4 (0.46) HDAC4HDAC6IDH1USP30ADORA1
SCHEMBL24096714 0.82 MAPK8 (0.35) HDAC4HDAC6SYKIDH1USP30
SCHEMBL24096728 0.82 MAPK8 (0.35) HDAC4HDAC6SYKIDH1USP30
SCHEMBL24096823 0.76 CDK2 (0.37) POLR1AJAK1PIK3CD
SCHEMBL24096739 0.74 BTK (0.46) HDAC4HDAC6USP30ADORA1PIK3CD
SCHEMBL24096735 0.74 BTK (0.46) HDAC4HDAC6USP30ADORA1PIK3CD
SCHEMBL24096927 0.73 JAK3 (0.36) USP30POLR1AGRIA1ADORA1FPR3
SCHEMBL24096795 0.73 USP30 (0.42) HDAC4HDAC6USP30ADORA1PIK3CD

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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