SCHEMBL1158780

SCHEMBL1158780

C[C@H](Nc1nc(Nc2cnccn2)cc2ccn(C)c(=O)c12)C(O)I

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.49
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ZAP70 P43403 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL1158339 0.88 SYK (0.58) SYKJAK2JAK1TYK2JAK3
SCHEMBL1159276 0.85 SYK (0.54) SYKJAK2JAK1TYK2JAK3
SCHEMBL6526409 0.83 KDM4E (0.47) SYKJAK2JAK1TYK2JAK3
SCHEMBL1158882 0.80 SYK (0.46) SYKJAK2JAK1TYK2JAK3
SCHEMBL12795891 0.79 SYK (0.49) SYKJAK2JAK1TYK2JAK3
SCHEMBL1158697 0.78 SYK (0.48) SYKLYNSRCBTK
SCHEMBL12795819 0.78 SYK (0.44) SYKZAP70LYNSRCBTK
SCHEMBL1158451 0.78 SYK (0.66) SYKJAK3CDK2
SCHEMBL1158397 0.78 SYK (0.45) SYKZAP70LYNSRCBTK
SCHEMBL12848761 0.77 SYK (0.44) SYKJAK2JAK1TYK2JAK3

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 disclosed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO disclosed