SCHEMBL5222829

SCHEMBL5222829

NC(=O)c1c(F)ccc(-c2cccc(-c3nn4ccccc4c3-c3ccnc(Nc4ccc(O)c(Cl)c4)n3)c2)c1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.53
KDR P35968 2/20 0.53
AURKB Q96GD4 2/20 0.53
AURKA O14965 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
GSK3B P49841 10/20 0.44
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.44
PKMYT1 Q99640 1/20 0.43
MAPK10 P53779 1/20 0.43
PLK1 P53350 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL5225154 0.85 SLC2A1 (0.46) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3441801 0.84 SLC2A1 (0.73) SLC2A1KDRAURKBAURKACDK19
SCHEMBL5229420 0.82 SLC2A1 (0.55) SLC2A1KDRAURKBAURKACDK19
SCHEMBL5225783 0.82 SLC2A1 (0.51) SLC2A1KDRAURKBAURKACDK19
SCHEMBL5222821 0.79 KDR (0.48) SLC2A1KDRAURKBAURKACDK19
SCHEMBL5227240 0.78 SLC2A1 (0.54) SLC2A1KDRAURKBAURKACDK19
SCHEMBL5313593 0.78 SLC2A1 (0.55) SLC2A1KDRAURKBAURKACDK19
SCHEMBL13105426 0.77 SLC2A1 (0.79) SLC2A1KDRAURKBAURKACDK19
SCHEMBL3441895 0.76 SLC2A1 (0.57) SLC2A1KDRAURKBAURKACDK19
SCHEMBL4041313 0.76 SLC2A1 (0.78) SLC2A1KDRAURKBAURKACDK19

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-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 WO disclosed