SCHEMBL4703580

SCHEMBL4703580

COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(OCCN(C)C)c3C)n2)cc1C(C(N)=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.43
MAPK8 P45983 5/20 0.39
CAMKK2 Q96RR4 3/20 0.39
PIK3CG P48736 2/20 0.39
MAPK9 P45984 2/20 0.39
INSR P06213 1/20 0.39
MAPK10 P53779 1/20 0.39
EGFR P00533 10/20 0.38
GSK3B P49841 2/20 0.37
IGF1R P08069 2/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
ROS1 P08922 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
SCHEMBL4706299 0.91 EGFR (0.44) SLC2A1MAPK8CAMKK2PIK3CGMAPK9
SCHEMBL4790380 0.90 INSR (0.49) SLC2A1MAPK8MAPK9INSRMAPK10
SCHEMBL3536782 0.85 SLC2A1 (0.45) SLC2A1MAPK8MAPK9INSRMAPK10
SCHEMBL4705773 0.81 SLC2A1 (0.35) SLC2A1MAPK8CAMKK2PIK3CGMAPK9
SCHEMBL3540687 0.80 SLC2A1 (0.47) SLC2A1MAPK8MAPK9INSRMAPK10
SCHEMBL14515916 0.78 SLC2A1 (0.44) SLC2A1MAPK8MAPK9INSRMAPK10
SCHEMBL3537500 0.76 EGFR (0.46) SLC2A1MAPK8MAPK9INSRMAPK10
SCHEMBL3537903 0.76 INSR (0.51) SLC2A1MAPK8MAPK9INSRMAPK10
SCHEMBL3544183 0.73 EGFR (0.49) SLC2A1MAPK8MAPK9INSRMAPK10
SCHEMBL14875113 0.73 MAPK8 (0.47) SLC2A1MAPK8MAPK9MAPK10EGFR

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-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 EP claimed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 WO claimed