SCHEMBL1159751

SCHEMBL1159751

O=C1[N]C=Cc2cc(Nc3ccccn3)nc(N[C@H]3CCC[C@H]3O)c21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MKNK1 Q9BUB5 8/20 0.33
MAP3K12 Q12852 1/20 0.33
ILK Q13418 1/20 0.33
LCK P06239 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TYK2 P29597 1/20 0.32
LATS1 O95835 2/20 0.32
LATS2 Q9NRM7 1/20 0.32
IRAK1 P51617 2/20 0.32

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
SCHEMBL6522981 0.74 JAK2 (0.48) JAK2JAK1FLT3TYRO3MERTK
SCHEMBL6519945 0.74 JAK2 (0.48) JAK2JAK1FLT3TYRO3MERTK
SCHEMBL1159684 0.74 CCNA2 (0.35) TYK2
SCHEMBL1158571 0.69 PDE10A (0.43)
SCHEMBL6524873 0.62 FER (0.50) JAK2JAK1MAP3K12FLT3
SCHEMBL1158755 0.61 SYK (0.56) MAP3K12TYK2IRAK1
SCHEMBL5851613 0.59 ALDH1A1 (0.51)
SCHEMBL5851621 0.59 ALDH1A1 (0.51)
SCHEMBL5851616 0.59 ALDH1A1 (0.51)
SCHEMBL1158642 0.58 FER (0.46) JAK2JAK1FLT3TYRO3MERTK

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-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP claimed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO claimed