SCHEMBL1704896

SCHEMBL1704896

CC(C)(C)OC(=O)N1CC2CC1CN2c1cc(-c2cc(NC(=O)c3cccnc3)cc(Nc3cnccn3)n2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.60
HDAC1 Q13547 2/20 0.47
PARP1 P09874 1/20 0.37
MAPK8 P45983 2/20 0.37
RET P07949 1/20 0.36
MAPK10 P53779 1/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 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
SCHEMBL1704520 0.92 KARS1 (0.60) KARS1HDAC1PARP1MAPK8RET
SCHEMBL1705351 0.91 KARS1 (0.52) KARS1HDAC1PARP1MAPK8RET
SCHEMBL901253 0.90 KARS1 (0.65) KARS1MAPK8MAPK10ABL1PDGFRB
SCHEMBL1705312 0.83 KARS1 (0.73) KARS1ABL1PDGFRBKIT
SCHEMBL902062 0.82 KARS1 (0.57) KARS1
SCHEMBL901867 0.82 KARS1 (0.53) KARS1MAPK8MAPK10
SCHEMBL1704276 0.82 KARS1 (0.68) KARS1HDAC1MAPK8MAPK10ABL1
SCHEMBL1705099 0.82 KARS1 (0.47) KARS1HDAC1
SCHEMBL1704584 0.80 PARP1 (0.45) KARS1HDAC1PARP1MAPK8RET
SCHEMBL1704251 0.78 KARS1 (0.73) 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 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