SCHEMBL1704307

SCHEMBL1704307

CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3cccc(C4=CCN(C(=O)O)CC4)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 10/20 0.49
ABL1 P00519 1/20 0.39
DYRK1A Q13627 2/20 0.38
GSK3B P49841 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
NAMPT P43490 6/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36

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
SCHEMBL1704574 0.94 KARS1 (0.48) KARS1ABL1DYRK1AGSK3BNAMPT
SCHEMBL1705115 0.90 KARS1 (0.55) KARS1NAMPT
SCHEMBL901769 0.89 KARS1 (0.60) KARS1ABL1SIRT2NAMPT
SCHEMBL902563 0.84 KARS1 (0.65) KARS1ABL1DYRK1AGSK3B
SCHEMBL1704352 0.81 GRM1 (0.46) KARS1NAMPT
SCHEMBL901948 0.81 KARS1 (0.46) KARS1NAMPT
SCHEMBL1704267 0.80 KARS1 (0.63) KARS1ABL1DYRK1AGSK3B
SCHEMBL1704842 0.79 KARS1 (0.52) KARS1NAMPT
SCHEMBL1705279 0.79 GRM1 (0.47) KARS1NAMPT
SCHEMBL902874 0.77 KARS1 (0.43) KARS1NAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed