SCHEMBL901888

SCHEMBL901888

O=C(O)c1ccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4C[C@@H]5C[C@H]4CN5)c3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.68
WNT1 P04628 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
HDAC1 Q13547 1/20 0.41
BRAF P15056 1/20 0.39
MAP3K12 Q12852 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL1704276 0.93 KARS1 (0.68) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL902768 0.88 KARS1 (0.52) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL1704236 0.88 KARS1 (0.52) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL1755607 0.85 KARS1 (0.56) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL1704640 0.83 KARS1 (0.56) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL1704520 0.82 KARS1 (0.60) KARS1WNT1GSK3BDYRK1AHDAC1
SCHEMBL901620 0.81 KARS1 (1.00) KARS1WNT1GSK3BDYRK1A
SCHEMBL901253 0.80 KARS1 (0.65) KARS1WNT1GSK3BDYRK1AJAK2
SCHEMBL902062 0.80 KARS1 (0.57) KARS1WNT1GSK3BDYRK1AJAK2
SCHEMBL901763 0.77 KARS1 (1.00) KARS1

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 4 patents. 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 claimed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed