SCHEMBL28708290

SCHEMBL28708290

CC(C)(C)c1cc(OC(N)=O)n(-c2ccc3ncccc3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.55
AXL P30530 2/20 0.55
SRC P12931 3/20 0.52
EPHB4 P54760 2/20 0.48
MAPK14 Q16539 4/20 0.45
PTK2 Q05397 2/20 0.45
PTK2B Q14289 2/20 0.45
MAPK11 Q15759 2/20 0.45
MET P08581 2/20 0.45
CDK5 Q00535 2/20 0.45
PLK4 O00444 1/20 0.45
ACOX3 O15254 1/20 0.45
MAP3K7 O43318 1/20 0.45
DYRK3 O43781 1/20 0.45
JAK2 O60674 1/20 0.45
ERN1 O75460 1/20 0.45
RPS6KA4 O75676 1/20 0.45
STK10 O94804 1/20 0.45
MAP4K4 O95819 1/20 0.45
RAF1 P04049 1/20 0.45

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
SCHEMBL1521770 0.80 ABL1 (0.53) ABL1AXLSRCEPHB4MAPK14
SCHEMBL2028017 0.80 GRN (0.62) ABL1AXLSRCEPHB4MAPK14
SCHEMBL17436825 0.79 CDK8 (0.60) MAPK14PTK2MAPK11DDR2MAPK13
SCHEMBL3379365 0.79 GRN (0.59) MAPK14MAPK11JAK2NTRK1MAPK13
SCHEMBL28684775 0.78 MAPK14 (0.51) MAPK14PTK2MAPK11DDR2MAPK13
SCHEMBL2024393 0.77 ABL1 (0.53) ABL1AXLSRCEPHB4MAPK14
SCHEMBL30904919 0.77 ABL1 (0.52) ABL1AXLSRCEPHB4MAPK14
SCHEMBL29186401 0.77 ABL1 (0.52) ABL1AXLSRCEPHB4MAPK14
SCHEMBL29396477 0.76 ABL1 (0.67) ABL1AXLSRCEPHB4MAPK14
SCHEMBL28700821 0.76 ABL1 (0.67) ABL1AXLSRCEPHB4MAPK14

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-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed