SCHEMBL29935523

SCHEMBL29935523

N#Cc1nc2c(C#N)ccc(C#N)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.43
DYRK1A Q13627 5/20 0.33
CLK1 P49759 3/20 0.33
UPP1 Q16831 1/20 0.33
CDK5 Q00535 3/20 0.31
CDK5R1 Q15078 3/20 0.31
CLK2 P49760 2/20 0.31
CLK3 P49761 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
TRPV4 Q9HBA0 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
Lithium SCHEMBL30899069 0.98 PSMB8 (0.42) PSMB8DYRK1ACLK1UPP1CDK5
Lithium Ion SCHEMBL29941832 0.98 PSMB8 (0.42) PSMB8DYRK1ACLK1UPP1CDK5
SCHEMBL28847045 0.98 PSMB8 (0.42) PSMB8DYRK1ACLK1UPP1CDK5
SCHEMBL24161256 0.78 DYRK1A (0.34) DYRK1ACLK1UPP1CDK5CDK5R1
SCHEMBL29935622 0.74 CSNK2A1 (0.43)
SCHEMBL251068 0.73 PSMB8 (0.41) PSMB8DYRK1A
SCHEMBL251067 0.73 PSMB8 (0.67) PSMB8DYRK1ACLK1
SCHEMBL28847063 0.73 CSNK2A1 (0.42)
Lithium SCHEMBL31238629 0.73 CSNK2A1 (0.42)
Lithium Ion SCHEMBL29942212 0.73 CSNK2A1 (0.42)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4060770-A1 BATTERY CELL, ELECTROLYTE MIXTURE AND USE OF AN ELECTROLYTE MIXTURE VOLKSWAGEN AG (DE) 2022-09-21 EP claimed
EP-4060770-A1 BATTERY CELL, ELECTROLYTE MIXTURE AND USE OF AN ELECTROLYTE MIXTURE VOLKSWAGEN AG (DE) 2022-09-21 EP disclosed