SCHEMBL2961538

SCHEMBL2961538

O=C(O)c1cnc2ccc(-c3ccc4[nH]ccc4c3)nn12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.56
CCNT1 O60563 4/20 0.56
CDK9 P50750 4/20 0.56
CDK5 Q00535 4/20 0.56
DYRK1A Q13627 4/20 0.56
CDK5R1 Q15078 4/20 0.56
DYRK2 Q92630 4/20 0.56
DYRK1B Q9Y463 4/20 0.56
CCNA2 P20248 3/20 0.56
CDK2 P24941 3/20 0.56
FYN P06241 7/20 0.47
TGFBR1 P36897 4/20 0.43
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.40
ABL1 P00519 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
TGFBR2 P37173 2/20 0.39
MAP3K11 Q16584 1/20 0.39

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
SCHEMBL1202668 0.85 DYRK3 (0.48) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL16009418 0.84 DYRK3 (0.77) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL21643998 0.78 DYRK3 (0.67) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL2903376 0.75 FYN (0.71) FYN
SCHEMBL15288066 0.73 MKNK1 (0.67) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL16010568 0.73 FYN (0.69) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL16023603 0.72 CCNT1 (0.73) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL16010529 0.72 DYRK1A (1.00) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL14881421 0.71 FYN (0.61) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL16265339 0.71 FYN (0.57) 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
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO disclosed