SCHEMBL24676475

SCHEMBL24676475

Cc1nc(N(C(=O)OC(C)(C)C)C2CCCC2)sc1Br

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
PI4KB Q9UBF8 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL24676460 0.85 RAB9A (0.31) RAB9A
SCHEMBL24675956 0.81
SCHEMBL123769 0.78 USP30 (0.33)
SCHEMBL23662177 0.77 PAX8 (0.39)
SCHEMBL27839422 0.76 APEX1 (0.34)
SCHEMBL29019239 0.75 MEN1 (0.31)
SCHEMBL30186673 0.73 ALDH1A1 (0.34)
SCHEMBL24676814 0.72 AAK1 (0.39) PI4KB
SCHEMBL24675926 0.71 CA12 (0.35) CA12CA1CA2CA5ACA9
SCHEMBL22832375 0.71 PPARA (0.44) RAB9ANPC1

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-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed