SCHEMBL4696797

SCHEMBL4696797

CCCNc1ccc2ncc(-c3cncnc3)n2n1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.77
PIM1 P11309 2/20 0.60
CCNT1 O60563 1/20 0.60
ABL1 P00519 1/20 0.60
PGK1 P00558 1/20 0.60
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
CSNK1E P49674 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
CDK9 P50750 1/20 0.60
JAK3 P52333 1/20 0.60
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
HASPIN Q8TF76 1/20 0.60
AURKB Q96GD4 1/20 0.60
MKNK1 Q9BUB5 4/20 0.55

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
SCHEMBL3037215 0.87 FYN (1.00) FYNPIM1CCNT1ABL1PGK1
SCHEMBL13234626 0.86 FYN (0.76) FYNPIM1CCNT1ABL1PGK1
SCHEMBL2949519 0.84 FYN (0.77) FYNPIM1CCNT1ABL1PGK1
SCHEMBL4694858 0.83 FYN (0.75) FYNPIM1CCNT1ABL1PGK1
SCHEMBL2951152 0.82 FYN (0.79) FYNPIM1CCNT1ABL1PGK1
SCHEMBL2947115 0.82 FYN (0.73) FYNPIM1CCNT1ABL1PGK1
SCHEMBL12761390 0.82 FYN (1.00) FYNPIM1CCNT1ABL1PGK1
SCHEMBL13234625 0.81 FYN (1.00) FYNPIM1CCNT1ABL1PGK1
SCHEMBL2950581 0.81 FYN (0.72) FYNPIM1CCNT1ABL1PGK1
SCHEMBL19467085 0.81 FYN (0.72) FYNPIM1CCNT1ABL1PGK1

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