SCHEMBL24096927

SCHEMBL24096927

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](Nc2nc(Br)c(Cl)n3ccnc23)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.36
▸ POLR1A O95602 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK8 P45983 6/20 0.35
▸ USP30 Q70CQ3 4/20 0.35
▸ BTK Q06187 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ GRIA1 P42261 1/20 0.33

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
SCHEMBL24096735 0.87 BTK (0.46) USP30BTKADORA1CNR1CNR2
SCHEMBL24096739 0.87 BTK (0.46) USP30BTKADORA1CNR1CNR2
SCHEMBL24096795 0.86 USP30 (0.42) POLBUSP30BTKADORA1CNR1
SCHEMBL24096729 0.80 PIM1 (0.38) POLR1AMAPK8USP30CNR1CNR2
SCHEMBL24096727 0.80 PIM1 (0.38) POLR1AMAPK8USP30CNR1CNR2
SCHEMBL24096768 0.80 CTSL (0.33) MAPK8
SCHEMBL24096772 0.80 CTSL (0.33) MAPK8
SCHEMBL24096644 0.78 NTRK1 (0.35) JAK3POLBMAPK8USP30BTK
SCHEMBL24096869 0.74 HDAC4 (0.46) USP30BTKADORA1FPR3FPR2
SCHEMBL24096868 0.73 POLB (0.36) POLBGRIA1

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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