SCHEMBL30813583

SCHEMBL30813583

CC(C)(C)OC(=O)CCn1cc(B2OC(C)(C)C(C)(C)O2)c2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.38
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ AAK1 Q2M2I8 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
SCHEMBL27217891 1.00 USP30 (0.38) USP30BACE1BACE2AAK1
SCHEMBL30813409 0.91 USP30 (0.39) USP30BACE1BACE2AAK1
SCHEMBL29998475 0.87 USP30 (0.39) USP30BACE1BACE2AAK1
SCHEMBL27217794 0.86 USP30 (0.37) USP30BACE1BACE2
SCHEMBL27088108 0.83 USP30 (0.37) USP30BACE1BACE2
SCHEMBL30813487 0.81 USP30 (0.44) USP30BACE1BACE2AAK1
SCHEMBL27218030 0.81 PDPK1 (0.33) —
SCHEMBL30813659 0.81 PDPK1 (0.33) —
SCHEMBL21221307 0.80 USP30 (0.39) USP30BACE1BACE2
SCHEMBL30813573 0.78 USP30 (0.38) USP30BACE1BACE2AAK1

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-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
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