SCHEMBL4690260

SCHEMBL4690260

NC(c1ccc2ncc(-c3cncnc3)n2n1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 19/20 0.45
DYRK3 O43781 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GRK5 P34947 1/20 0.38

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
SCHEMBL2945212 0.89 FYN (0.53) FYN
SCHEMBL2945084 0.88 FYN (0.60) FYNDYRK3CCNA2CDK2CDK5
SCHEMBL2945056 0.85 FYN (0.60) FYNGRK5
SCHEMBL2944108 0.85 FYN (0.50) FYNDYRK3CCNA2CDK2CDK5
SCHEMBL2949133 0.85 FYN (0.53) FYNGRK5
SCHEMBL2942431 0.83 FYN (0.60) FYN
SCHEMBL2943254 0.82 FYN (0.57) FYNGRK5
SCHEMBL2947851 0.80 FYN (0.54) FYNDYRK3CCNA2CDK2CDK5
SCHEMBL2944904 0.79 FYN (0.52) FYNDYRK3CCNA2CDK2CDK5
SCHEMBL2949675 0.79 FYN (0.63) 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 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