SCHEMBL28575805

SCHEMBL28575805

CC(C)(C)OC(=O)Nn1cnc2cnc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAPKAPK2 P49137 4/20 0.35
TRPA1 O75762 1/20 0.34
JAK1 P23458 3/20 0.34
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34
ATR Q13535 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
SYK P43405 1/20 0.32
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CTSL P07711 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
SCHEMBL26192157 0.78 JAK1 (0.36) STK17BSTK17AMAPKAPK2TRPA1JAK1
SCHEMBL16879925 0.76 METAP1 (0.40) MEN1NPC1GAARAB9AKMT2A
SCHEMBL27472749 0.76 MAPKAPK2 (0.44) STK17BSTK17AMAPKAPK2JAK3BTK
SCHEMBL30962529 0.76 MAPKAPK2 (0.44) STK17BSTK17AMAPKAPK2JAK3BTK
SCHEMBL19533547 0.72 ATM (0.49) MAPKAPK2SYKJAK3BTK
SCHEMBL4756322 0.70 NPC1 (0.44) JAK1MEN1NPC1GAARAB9A
SCHEMBL28576688 0.69 CCNA2 (0.33) FGFR1FGFR4DYRK1A
SCHEMBL28575806 0.68 STK17B (0.39) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL24682199 0.68 PI4KA (0.39) FGFR1FGFR4NPC1RAB9A
SCHEMBL113150 0.67 MAP4K4 (0.57) SYKJAK3BTK

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
CN-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 CN disclosed