SCHEMBL5229411

SCHEMBL5229411

CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C5(F)C=CC=C(F)C5C(N)=O)c4)nn4ccccc34)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.51
IGF1R P08069 8/20 0.49
MAPK8 P45983 5/20 0.46
MAPK9 P45984 5/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
INSR P06213 1/20 0.45
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
MAPK10 P53779 1/20 0.44

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
SCHEMBL5222821 0.84 KDR (0.48) SLC2A1MAPK8MAPK9AURKAKDR
SCHEMBL3442344 0.81 SLC2A1 (0.72) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL5229420 0.81 SLC2A1 (0.55) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL3537238 0.80 MAPK8 (0.51) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL5226781 0.80 SLC2A1 (0.40) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL3540982 0.80 SLC2A1 (0.58) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL3442310 0.79 SLC2A1 (0.52) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL5227601 0.79 SLC2A1 (0.53) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL3442091 0.78 SLC2A1 (0.76) SLC2A1IGF1RMAPK8MAPK9EGFR
SCHEMBL3442000 0.78 SLC2A1 (0.63) SLC2A1IGF1RMAPK8MAPK9EGFR

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 claimed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 WO claimed