SCHEMBL4696853

SCHEMBL4696853

COc1ncc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.52
KCNH2 Q12809 3/20 0.52
MKNK1 Q9BUB5 3/20 0.52
FYN P06241 6/20 0.48
MALT1 Q9UDY8 1/20 0.43
IKBKB O14920 1/20 0.43

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
SCHEMBL3042136 0.84 PIM1 (0.62) PIM1KCNH2MKNK1FYNIKBKB
SCHEMBL3042139 0.84 PIM1 (0.62) PIM1KCNH2MKNK1FYNIKBKB
SCHEMBL16009796 0.78 FYN (0.53) PIM1KCNH2MKNK1FYNIKBKB
SCHEMBL17849259 0.78 FYN (0.53) PIM1KCNH2MKNK1FYNIKBKB
SCHEMBL16009798 0.78 FYN (0.53) PIM1KCNH2MKNK1FYNIKBKB
SCHEMBL2947994 0.78 FYN (0.65) PIM1KCNH2MKNK1FYNIKBKB
SCHEMBL3033272 0.78 FYN (0.65) PIM1KCNH2MKNK1FYNIKBKB
SCHEMBL3041628 0.77 PIM1 (0.66) PIM1KCNH2MKNK1FYN
SCHEMBL3041625 0.77 PIM1 (0.66) PIM1KCNH2MKNK1FYN
SCHEMBL2943219 0.77 MKNK1 (0.64) PIM1KCNH2MKNK1FYN

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