SCHEMBL25919862

SCHEMBL25919862

O=C1NCc2ccc(-c3ccsc3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.62
NTRK2 Q16620 2/20 0.62
DYRK1B Q9Y463 2/20 0.62
TYRO3 Q06418 1/20 0.62
GSK3B P49841 3/20 0.60
NTRK1 P04629 2/20 0.60
FLT3 P36888 2/20 0.60
JAK2 O60674 1/20 0.60
MET P08581 1/20 0.60
FGFR1 P11362 1/20 0.60
PRKACA P17612 1/20 0.60
KDR P35968 1/20 0.60
MAP2K2 P36507 1/20 0.60
MAP2K1 Q02750 1/20 0.60
MST1R Q04912 1/20 0.60
NTRK3 Q16288 1/20 0.60
CAMK1D Q8IU85 1/20 0.60
FYN P06241 1/20 0.56
PTPRC P08575 1/20 0.49
BRAF P15056 1/20 0.46

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
SCHEMBL21731307 0.79 CLK4 (0.73) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL30418958 0.79 CLK4 (0.73) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL30775346 0.79 CLK4 (0.73) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL8723086 0.77 CLK4 (1.00) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL29984992 0.76 CLK4 (0.73) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL29985572 0.76 CLK4 (0.74) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL19187116 0.76 CLK4 (0.74) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL29985232 0.75 CLK4 (0.66) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL15571040 0.74 CLK4 (0.60) CLK4NTRK2DYRK1BTYRO3GSK3B
SCHEMBL8214476 0.73 PTPRC (0.54) PTPRCKCNH2ALOX5ACMSDERN1

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-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed