SCHEMBL901665

SCHEMBL901665

O=C(O)N1CCC(c2cccc(-c3cccc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 10/20 0.53
FAAH O00519 1/20 0.42
SCD5 Q86SK9 2/20 0.40
SCD O00767 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 1/20 0.38
NAMPT P43490 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIN2B Q13224 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MAP3K12 Q12852 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
SCHEMBL1705310 0.87 KARS1 (0.48) KARS1
SCHEMBL901929 0.86 KARS1 (0.55) KARS1MAP3K12
SCHEMBL901953 0.83 KARS1 (0.56) KARS1MAP3K12
SCHEMBL901876 0.82 KARS1 (0.71) KARS1FAAHCYP3A4CYP2D6CYP2C9
SCHEMBL902750 0.82 KARS1 (0.64) KARS1CLK2GSK3BDYRK1A
SCHEMBL902071 0.80 KARS1 (0.72) KARS1
SCHEMBL902923 0.79 NPC1 (0.36) KARS1SCD5MAP3K12
SCHEMBL1704842 0.78 KARS1 (0.52) KARS1NAMPT
SCHEMBL901682 0.76 ASIC3 (0.44) SCD5SCD
SCHEMBL902272 0.74 SYK (0.53) KARS1MAP3K12

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 2 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 disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed