SCHEMBL4692191

SCHEMBL4692191

CC(=O)c1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)s1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.56
KCNH2 Q12809 4/20 0.56
MKNK1 Q9BUB5 3/20 0.51
IKBKB O14920 2/20 0.50
FYN P06241 4/20 0.48

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
SCHEMBL1055463 0.89 FYN (0.61) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL1053320 0.80 FYN (0.62) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3042095 0.78 FYN (0.63) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3042098 0.78 FYN (0.63) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3036707 0.77 PIM1 (0.66) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3036703 0.77 PIM1 (0.66) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3041613 0.77 PIM1 (0.76) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL3041629 0.77 PIM1 (0.76) PIM1KCNH2MKNK1IKBKBFYN
SCHEMBL19467148 0.77 FYN (0.62) PIM1MKNK1IKBKBFYN
SCHEMBL15254599 0.77 MKNK1 (0.57) MKNK1IKBKBFYN

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