SCHEMBL1705099

SCHEMBL1705099

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2cc(NC(=O)c3ccc(C(=O)O)cc3)cc(Nc3cc(C(F)(F)F)ccn3)n2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.47
SYK P43405 15/20 0.44
HDAC1 Q13547 1/20 0.43
IDH2 P48735 1/20 0.40

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
SCHEMBL1704520 0.90 KARS1 (0.60) KARS1HDAC1
SCHEMBL1704871 0.87 KARS1 (0.44) KARS1SYKIDH2
SCHEMBL902168 0.86 SYK (0.49) SYKHDAC1
SCHEMBL1704543 0.86 SYK (0.49) SYKHDAC1
SCHEMBL1705351 0.84 KARS1 (0.52) KARS1HDAC1
SCHEMBL1704236 0.83 KARS1 (0.52) KARS1SYKIDH2
SCHEMBL902768 0.83 KARS1 (0.52) KARS1SYKIDH2
SCHEMBL901867 0.82 KARS1 (0.53) KARS1SYKIDH2
SCHEMBL1704896 0.82 KARS1 (0.60) KARS1HDAC1
SCHEMBL902491 0.77 KARS1 (0.76) KARS1SYKIDH2

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