SCHEMBL1705340

SCHEMBL1705340

CC(C)(C)OC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.57
DYRK1A Q13627 4/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
GSK3B P49841 2/20 0.34
AURKA O14965 1/20 0.33
FLT3 P36888 1/20 0.33
TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL1704239 0.96 KARS1 (0.56) KARS1DYRK1ATBK1
SCHEMBL901895 0.92 KARS1 (0.52) KARS1TBK1
SCHEMBL901882 0.92 KARS1 (0.48) KARS1DYRK1ATBK1
SCHEMBL1704636 0.88 KARS1 (0.52) KARS1TBK1
SCHEMBL1704312 0.87 KARS1 (0.48) KARS1TBK1
SCHEMBL1704395 0.87 KARS1 (0.53) KARS1TBK1
SCHEMBL902563 0.86 KARS1 (0.65) KARS1DYRK1ARAF1BRAFGSK3B
SCHEMBL901789 0.84 KARS1 (0.75) KARS1
SCHEMBL902673 0.83 KARS1 (0.65) KARS1DYRK1ATBK1
SCHEMBL1704582 0.82 KARS1 (0.53) KARS1TBK1

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