SCHEMBL1704520

SCHEMBL1704520

CC(C)(C)OC(=O)N1CC2CC1CN2c1cc(-c2cc(NC(=O)c3ccc(C(=O)O)cc3)cc(Nc3cnccn3)n2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.60
HDAC1 Q13547 2/20 0.45
TYK2 P29597 2/20 0.38
MAPK8 P45983 1/20 0.37
RET P07949 1/20 0.36
PARP1 P09874 1/20 0.36
JAK1 P23458 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL1705351 0.94 KARS1 (0.52) KARS1HDAC1TYK2MAPK8RET
SCHEMBL1704896 0.92 KARS1 (0.60) KARS1HDAC1MAPK8RETPARP1
SCHEMBL1705099 0.90 KARS1 (0.47) KARS1HDAC1
SCHEMBL902062 0.86 KARS1 (0.57) KARS1TYK2JAK1WNT1GSK3B
SCHEMBL902626 0.83 KARS1 (0.73) KARS1DYRK1A
SCHEMBL901253 0.83 KARS1 (0.65) KARS1TYK2MAPK8JAK1WNT1
SCHEMBL901888 0.82 KARS1 (0.68) KARS1HDAC1TYK2JAK1WNT1
SCHEMBL1704251 0.78 KARS1 (0.73) KARS1DYRK1A
SCHEMBL1704584 0.78 PARP1 (0.45) KARS1HDAC1TYK2MAPK8RET
SCHEMBL1705003 0.78 KARS1 (0.65) KARS1GSK3BDYRK1A

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