SCHEMBL902035

SCHEMBL902035

NC(=O)CCc1cccc(-c2cc(N)cc(Nc3cnccn3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 10/20 0.48
AURKA O14965 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
NEK2 P51955 1/20 0.38
FYN P06241 1/20 0.38
JAK3 P52333 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
PDE4B Q07343 1/20 0.37
SYK P43405 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
SCHEMBL901364 0.92 KARS1 (0.48) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL902197 0.86 KARS1 (0.43) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL901992 0.86 KMT2A (0.42) KARS1AURKASIRT2NEK2JAK3
SCHEMBL901722 0.78 KARS1 (0.52) KARS1AURKASIRT2JAK2JAK1
SCHEMBL901884 0.77 KMT2A (0.42) KARS1SYK
SCHEMBL901940 0.77 KMT2A (0.42) KARS1SYK
SCHEMBL901872 0.76 KARS1 (0.52) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL902681 0.74 KARS1 (0.70) KARS1FYN
SCHEMBL902167 0.72 KMT2A (0.38) KARS1SYK
SCHEMBL1755645 0.71 IKBKB (0.35) AURKANEK2JAK3IKBKBCHUK

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