SCHEMBL21394879

SCHEMBL21394879

Cc1cc(NC(=O)OC(C)(C)C)ncc1BOC(C)(C)C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
LCK P06239 2/20 0.34
BCL2 P10415 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
MAPK1 P28482 1/20 0.33
SYK P43405 1/20 0.33
CDK9 P50750 1/20 0.33
TSHR P16473 1/20 0.33
FSHR P23945 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ABL1 P00519 3/20 0.32
IGF1R P08069 1/20 0.32
MAP4K1 Q92918 1/20 0.32
ATR Q13535 1/20 0.32
DGAT1 O75907 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
SCHEMBL27005881 0.79 BCL2 (0.41) GSK3BDYRK1ALCKBCL2MAPK1
SCHEMBL12225872 0.78 GSK3B (0.48) GSK3BDYRK1ALCKAAK1MAPK1
SCHEMBL5908666 0.77 GSK3B (0.46) GSK3BDYRK1ALCKAAK1MAPK1
SCHEMBL15079563 0.77 L3MBTL1 (0.40) ABL1MAP4K1
SCHEMBL26125387 0.74 GSK3B (0.46) GSK3BDYRK1ALCKAAK1MAPK1
SCHEMBL30298062 0.74 GSK3B (0.46) GSK3BDYRK1ALCKAAK1MAPK1
SCHEMBL30107231 0.74 GSK3B (0.46) GSK3BDYRK1ALCKBCL2AAK1
SCHEMBL16905389 0.74 GSK3B (0.46) GSK3BDYRK1ALCKBCL2AAK1
SCHEMBL25345910 0.73 GSK3B (0.45) GSK3BDYRK1ALCKAAK1MAPK1
SCHEMBL16753674 0.73 GSK3B (0.45) GSK3BDYRK1ALCKAAK1MAPK1

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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed