SCHEMBL4694450

SCHEMBL4694450

CC(C)C(CO)Nc1ccc2ncc(-c3cncnc3)n2n1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.79
DYRK3 O43781 6/20 0.78
CCNT1 O60563 6/20 0.78
CDK9 P50750 6/20 0.78
CDK5 Q00535 6/20 0.78
DYRK1A Q13627 6/20 0.78
CDK5R1 Q15078 6/20 0.78
DYRK2 Q92630 6/20 0.78
DYRK1B Q9Y463 6/20 0.78
CCNA2 P20248 5/20 0.78
CDK2 P24941 5/20 0.78

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
SCHEMBL4694447 1.00 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL18613468 0.88 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL20485793 0.88 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL1055975 0.86 FYN (0.81) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL1055974 0.86 FYN (0.81) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL2947149 0.85 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL16332008 0.85 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL20485848 0.85 FYN (1.00) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL1055088 0.85 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL2947145 0.85 FYN (0.79) FYNDYRK3CCNT1CDK9CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed