SCHEMBL4606071

SCHEMBL4606071

c1cc(OCCC2CCCCN2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.59
DYRK3 O43781 1/20 0.59
JAK2 O60674 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
NQO2 P16083 1/20 0.59
CSNK2A2 P19784 1/20 0.59
FECH P22830 1/20 0.59
JAK1 P23458 1/20 0.59
TYK2 P29597 1/20 0.59
MAPK8 P45983 1/20 0.59
MAPK9 P45984 1/20 0.59
CSNK1A1 P48729 1/20 0.59
CSNK1D P48730 1/20 0.59
CSNK1E P49674 1/20 0.59
CLK1 P49759 1/20 0.59
CLK2 P49760 1/20 0.59
GSK3B P49841 1/20 0.59
JAK3 P52333 1/20 0.59
MAPK10 P53779 1/20 0.59

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
SCHEMBL4604747 0.94 CLK2 (0.67) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL5373329 0.91 CLK2 (0.68) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL5372572 0.82 MAPK8 (0.62) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL5380287 0.82 MAPK8 (0.71) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL5375708 0.76 GAK (0.62) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL5373334 0.76 CLK2 (0.98) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL5373389 0.76 CHEK2 (0.56) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL5380905 0.75 MAPK8 (0.71) GAKDYRK3JAK2PRKD3MAP4K4
SCHEMBL7532858 0.75 MAPK8 (0.71) GAKDYRK3JAK2PRKD3MAP4K4
Cc-401 SCHEMBL30290855 0.75 CLK2 (1.00) GAKDYRK3JAK2PRKD3MAP4K4

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
EP-1871364-A1 METHODS FOR TREATING OR PREVENTING ACUTE MYELOGENOUS LEUKEMIA Signal Pharmaceuticals LLC (US) 2008-01-02 EP disclosed
WO-2006102363-A1 METHODS FOR TREATING OR PREVENTING ACUTE MYELOGENOUS LEUKEMIA SIGNAL PHARMACEUTICALS, LLC (US) 2006-09-28 WO disclosed