SCHEMBL901253

SCHEMBL901253

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CC4CC3CN4C(=O)O)c2)c1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.65
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
ABL1 P00519 2/20 0.38
PDGFRB P09619 2/20 0.38
BCR P11274 2/20 0.38
SRC P12931 2/20 0.38
PDGFRA P16234 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCD Q05655 2/20 0.38
BUB1 O43683 1/20 0.37
TYK2 P29597 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 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
SCHEMBL901867 0.90 KARS1 (0.53) KARS1MAPK8MAPK10
SCHEMBL1704896 0.90 KARS1 (0.60) KARS1MAPK8MAPK10ABL1PDGFRB
SCHEMBL902062 0.89 KARS1 (0.57) KARS1TYK2JAK2JAK1WNT1
SCHEMBL1704276 0.87 KARS1 (0.68) KARS1MAPK8MAPK10ABL1PDGFRB
SCHEMBL12469310 0.84 KARS1 (0.56) KARS1TYK2
SCHEMBL1704520 0.83 KARS1 (0.60) KARS1MAPK8TYK2JAK1WNT1
SCHEMBL902036 0.82 KARS1 (0.81) KARS1MAPK8MAPK10ABL1PDGFRB
SCHEMBL1705351 0.81 KARS1 (0.52) KARS1MAPK8TYK2JAK1WNT1
SCHEMBL901888 0.80 KARS1 (0.68) KARS1TYK2JAK2JAK1WNT1
SCHEMBL901742 0.79 KARS1 (1.00) KARS1MAPK8MAPK10PRKD1

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-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