SCHEMBL4727112

SCHEMBL4727112

[CH]c1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.77
FYN P06241 9/20 0.77
MKNK1 Q9BUB5 1/20 0.68
KCNH2 Q12809 3/20 0.60

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
SCHEMBL1053252 0.88 FYN (0.79) PIM1FYNMKNK1KCNH2
SCHEMBL16216051 0.87 PIM1 (0.77) PIM1FYNMKNK1KCNH2
SCHEMBL1052926 0.87 FYN (1.00) PIM1FYNMKNK1KCNH2
SCHEMBL1053040 0.87 PIM1 (0.77) PIM1FYNMKNK1KCNH2
SCHEMBL1051232 0.87 PIM1 (0.77) PIM1FYNMKNK1KCNH2
SCHEMBL102689 0.87 PIM1 (1.00) PIM1FYNKCNH2
SCHEMBL4779099 0.87 FYN (0.79) PIM1FYNMKNK1KCNH2
SCHEMBL2948048 0.87 FYN (1.00) PIM1FYNMKNK1KCNH2
SCHEMBL1055979 0.87 FYN (0.80) PIM1FYNMKNK1KCNH2
SCHEMBL2951683 0.85 FYN (0.74) PIM1FYNMKNK1KCNH2

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