SCHEMBL4779099

SCHEMBL4779099

[CH]c1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.79
MKNK1 Q9BUB5 2/20 0.77
PIM1 P11309 8/20 0.67
KCNH2 Q12809 3/20 0.53

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
SCHEMBL1055016 0.89 FYN (0.81) FYNMKNK1PIM1KCNH2
SCHEMBL1051264 0.88 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1052981 0.88 FYN (1.00) FYNMKNK1PIM1KCNH2
SCHEMBL1055876 0.88 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1052943 0.88 FYN (0.79) FYNMKNK1PIM1KCNH2
SCHEMBL1055979 0.88 FYN (0.80) FYNMKNK1PIM1KCNH2
SCHEMBL1049305 0.88 FYN (0.74) FYNMKNK1PIM1KCNH2
SCHEMBL3027305 0.87 FYN (1.00) FYNMKNK1PIM1KCNH2
SCHEMBL4727112 0.87 PIM1 (0.77) FYNMKNK1PIM1KCNH2
SCHEMBL1054758 0.86 FYN (0.76) FYNMKNK1PIM1KCNH2

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
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed