SCHEMBL24148409

SCHEMBL24148409

Bc1cncc2c1CNC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ LTK P29376 1/20 0.33
▸ MST1R Q04912 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ PARP10 Q53GL7 2/20 0.33
▸ PARP11 Q9NR21 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MET P08581 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
SCHEMBL2047893 0.81 CLK4 (0.38) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL24466480 0.77 CDK5 (0.55) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL30461697 0.74 CDC7 (0.49) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL24148319 0.71 CDK5 (0.61) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL25994598 0.68 GRM2 (0.40) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL148437 0.64 CA12 (0.55) CLK4DYRK1BCA12CA9MST1R
SCHEMBL30059171 0.63 MKNK2 (0.41) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL4151725 0.63 MKNK2 (0.41) CDK5DYRK1ACLK4PIM1CSNK1A1
Hydrochloric Acid SCHEMBL7086048 0.63 CA12 (0.53) CLK4DYRK1BCA12CA9MST1R
SCHEMBL25959396 0.61 MAPK14 (0.42) CA12CA9PARP1

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-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 — — WO disclosed
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