SCHEMBL25757654

SCHEMBL25757654

O=C1NCc2c1ccc1scnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.42
DYRK1A Q13627 3/20 0.42
CDK5 Q00535 2/20 0.42
LTK P29376 1/20 0.42
MST1R Q04912 1/20 0.42
DYRK1B Q9Y463 2/20 0.40
ROCK1 Q13464 2/20 0.40
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MELK Q14680 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PRKCB P05771 1/20 0.32
CSNK2A2 P19784 1/20 0.32
PIK3CG P48736 1/20 0.32
CLK1 P49759 1/20 0.32
CSNK2B P67870 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
SCHEMBL599458 0.74 DYRK1A (0.42) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL16535812 0.69 LMNA (0.53) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL25757650 0.68 DYRK1A (0.40) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL5160632 0.67 ALDH1A1 (0.46) DYRK1AMELK
SCHEMBL24466337 0.63 CDK5 (0.46) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL30842095 0.63 CDK5 (0.46) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL16921409 0.63 CDK5 (0.46) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL31264207 0.63 CDK5 (0.46) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL15566157 0.63 CLK4 (0.46) CLK4DYRK1ACDK5LTKMST1R
SCHEMBL31451620 0.62 CDK5 (0.41) CLK4DYRK1ACDK5LTKMST1R

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-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed