SCHEMBL5225447

SCHEMBL5225447

NC(=O)c1cccnc1-c1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.55
▸ MAPK8 P45983 4/20 0.53
▸ MAPK9 P45984 2/20 0.53
▸ MAPK10 P53779 2/20 0.53
▸ GSK3B P49841 10/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ AURKA O14965 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ CDK19 Q9BWU1 1/20 0.51
▸ CDC7 O00311 1/20 0.49
▸ PIK3CG P48736 1/20 0.46
▸ CAMKK2 Q96RR4 1/20 0.46
▸ PKMYT1 Q99640 1/20 0.45

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
SCHEMBL3441920 0.89 MAPK8 (0.60) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL5227240 0.85 SLC2A1 (0.54) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3441924 0.83 GSK3B (0.58) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL13105468 0.82 SLC2A1 (0.65) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3441895 0.81 SLC2A1 (0.57) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL14515374 0.81 GSK3B (0.56) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3441885 0.80 SLC2A1 (0.65) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3441778 0.80 MAPK8 (0.65) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3540905 0.80 SLC2A1 (0.65) SLC2A1MAPK8MAPK9MAPK10GSK3B
SCHEMBL3442508 0.79 MAPK8 (0.66) SLC2A1MAPK8MAPK9MAPK10GSK3B

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
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