SCHEMBL13847898

SCHEMBL13847898

C[S+]([O-])c1nccc(-c2c(-c3cccc(N=O)c3)nn3ccccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.40
▸ MAPK9 P45984 7/20 0.39
▸ MAPK8 P45983 6/20 0.39
▸ IGF1R P08069 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ AURKA O14965 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37
▸ MAPK14 Q16539 2/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL3442305 0.85 MEN1 (0.42) SLC2A1MAPK1EGFR
SCHEMBL5212674 0.84 GSK3B (0.43) SLC2A1MAPK9MAPK8IGF1RMAPK10
SCHEMBL13848066 0.83 TGFBR1 (0.42) SLC2A1MAPK9MAPK8IGF1RMAPK10
SCHEMBL14593062 0.81 GSK3B (0.55) SLC2A1MAPK9MAPK8MAPK1MAPK14
SCHEMBL14515374 0.79 GSK3B (0.56) SLC2A1MAPK9MAPK8MAPK10AURKA
SCHEMBL13848117 0.74 GSK3B (0.59) SLC2A1MAPK9MAPK8IGF1RMAPK10
SCHEMBL5423245 0.72 PDE4B (0.41) MAPK9MAPK10MAPK14PDE4BPDE10A
SCHEMBL3441979 0.70 MEN1 (0.42) SLC2A1MAPK1EGFR
SCHEMBL14593090 0.69 MAPK14 (0.49) MAPK9MAPK8IGF1RMAPK10MAPK1
SCHEMBL3441833 0.68 MAPK1 (0.43) SLC2A1MAPK9MAPK8IGF1RMAPK10

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-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 — — EP disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 — — WO disclosed
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