SCHEMBL4728197

SCHEMBL4728197

CCCN(CO)c1ccc2ncc(-c3cccc(NS(C)(=O)=O)c3)n2n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.61
DYRK3 O43781 3/20 0.50
CCNT1 O60563 3/20 0.50
CCNA2 P20248 3/20 0.50
CDK2 P24941 3/20 0.50
CDK9 P50750 3/20 0.50
CDK5 Q00535 3/20 0.50
DYRK1A Q13627 3/20 0.50
CDK5R1 Q15078 3/20 0.50
DYRK2 Q92630 3/20 0.50
DYRK1B Q9Y463 3/20 0.50
MKNK1 Q9BUB5 1/20 0.45
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2942584 0.80 FYN (0.59) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2948083 0.79 FYN (0.61) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL103491 0.78 FYN (0.67) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL1050875 0.77 FYN (0.55) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL18613738 0.76 FYN (1.00) FYN
SCHEMBL102650 0.76 DYRK1A (0.76) FYNDYRK3CCNT1CCNA2CDK2
SCHEMBL2944991 0.75 FYN (0.68) FYNMKNK1
SCHEMBL18613456 0.74 FYN (1.00) FYN
SCHEMBL2950361 0.74 FYN (0.58) FYNDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL16331300 0.72 FYN (0.66) FYN

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
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed