SCHEMBL4691104

SCHEMBL4691104

CN(C)CCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.74
MKNK1 Q9BUB5 6/20 0.57
IKBKB O14920 1/20 0.53
AAK1 Q2M2I8 1/20 0.52
RAD52 P43351 1/20 0.52
PIM1 P11309 1/20 0.50

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
SCHEMBL20485733 0.85 FYN (1.00) FYNMKNK1
SCHEMBL2947844 0.84 IKBKB (0.58) FYNMKNK1IKBKBAAK1
SCHEMBL2948850 0.84 MKNK1 (0.67) FYNMKNK1IKBKBPIM1
SCHEMBL2948860 0.83 FYN (0.71) FYNMKNK1IKBKBAAK1PIM1
SCHEMBL3036460 0.82 FYN (0.76) FYNMKNK1IKBKB
SCHEMBL2950410 0.79 FYN (0.78) FYNMKNK1
SCHEMBL2949007 0.78 FYN (0.77) FYNMKNK1IKBKBAAK1
SCHEMBL13234778 0.78 MKNK1 (0.63) FYNMKNK1IKBKBPIM1
SCHEMBL2946476 0.77 FYN (0.60) FYNMKNK1PIM1
SCHEMBL1053471 0.77 FYN (0.82) FYNMKNK1

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