SCHEMBL901722

SCHEMBL901722

NC(=O)Cc1cccc(-c2cccc(Nc3cnccn3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 11/20 0.52
AURKA O14965 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
WNT3A P56704 2/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
CHEK1 O14757 1/20 0.38
MAP3K7 O43318 1/20 0.38
NUAK1 O60285 1/20 0.38
BMX P51813 1/20 0.38
NEK2 P51955 1/20 0.38
MAP3K9 P80192 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAP3K11 Q16584 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
BTK Q06187 1/20 0.37
MAP3K5 Q99683 1/20 0.37

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
SCHEMBL902681 0.83 KARS1 (0.70) KARS1LYNSRCBTKHPGD
SCHEMBL901872 0.82 KARS1 (0.52) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL901883 0.81 AURKA (0.56) KARS1AURKA
SCHEMBL5178207 0.81 WNT3A (0.53) WNT3ANPC1HPGDNFKB1STAT1
SCHEMBL902035 0.78 KARS1 (0.48) KARS1AURKASIRT2JAK2JAK1
SCHEMBL1705304 0.77 KARS1 (0.47) KARS1SIRT2LYNSRCBTK
SCHEMBL1755668 0.75 KARS1 (0.60) KARS1JAK2JAK1TYK2
SCHEMBL901992 0.74 KMT2A (0.42) KARS1AURKASIRT2NEK2SRC
SCHEMBL901364 0.74 KARS1 (0.48) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL902190 0.74 KARS1 (0.58) KARS1SRCMAP3K5NPC1NFKB1

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 5 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
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