SCHEMBL1704574

SCHEMBL1704574

CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 9/20 0.48
NAMPT P43490 1/20 0.42
GRM5 P41594 2/20 0.40
GRM1 Q13255 2/20 0.40
WNT3A P56704 1/20 0.39
ABL1 P00519 2/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
JAK1 P23458 1/20 0.39
CYP11B2 P19099 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL1704307 0.94 KARS1 (0.49) KARS1NAMPTABL1GSK3BDYRK1A
SCHEMBL1705115 0.94 KARS1 (0.55) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL1704352 0.85 GRM1 (0.46) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL1705279 0.85 GRM1 (0.47) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL1704267 0.84 KARS1 (0.63) KARS1ABL1PDGFRBKITGSK3B
SCHEMBL901769 0.83 KARS1 (0.60) KARS1NAMPTABL1PDGFRBJAK1
SCHEMBL902874 0.81 KARS1 (0.43) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL902876 0.81 KARS1 (0.43) KARS1NAMPTGRM5GRM1WNT3A
SCHEMBL903001 0.81 KARS1 (0.62) KARS1ABL1PDGFRBKITDYRK1A
SCHEMBL1704897 0.80 KARS1 (0.42) KARS1NAMPTGRM5GRM1WNT3A

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