SCHEMBL22858337

SCHEMBL22858337

Cn1nc(NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DRD2 P14416 2/20 0.30
MAPK14 Q16539 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
SCHEMBL22858331 0.78 AAK1 (0.39) AAK1DRD2MAPK14
SCHEMBL35210564 0.71 AAK1 (0.35) USP30AAK1PRMT5WDR77MAPK14
SCHEMBL27164468 0.69 USP30 (0.37) USP30AAK1PRMT5WDR77MAPK14
SCHEMBL24049966 0.69 AAK1 (0.36) USP30AAK1PRMT5WDR77
SCHEMBL22858338 0.67 STK17B (0.37) AAK1
SCHEMBL22858298 0.66 MAPK14 (0.41) AAK1DRD2MAPK14
SCHEMBL26970589 0.65 USP30 (0.34) USP30AAK1PRMT5WDR77
SCHEMBL30863611 0.65 AAK1 (0.39) USP30AAK1PRMT5WDR77MAPK14
SCHEMBL29341854 0.65 GSK3B (0.38) USP30AAK1PRMT5WDR77MAPK14
SCHEMBL24622449 0.65 AAK1 (0.46) USP30AAK1PRMT5WDR77DRD2

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-2021000957-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 北京国鸿生物医药科技有限公司 2021-01-07 WO disclosed