SCHEMBL5223915

SCHEMBL5223915

NC(=O)C1C(F)=CC=CC1(F)c1cccc(-c2nn3cccc(F)c3c2-c2ccnc(Cl)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
SLC2A1 P11166 3/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
IGF1R P08069 1/20 0.30
PKMYT1 Q99640 1/20 0.30

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
SCHEMBL5226781 0.89 SLC2A1 (0.40) MAPK14SLC2A1AURKAKDRAURKB
SCHEMBL5223855 0.76 SLC2A1 (0.39) MAPK14SLC2A1AURKAKDRAURKB
SCHEMBL3442307 0.76 MAPK14 (0.45) MAPK14SLC2A1AURKAKDRAURKB
SCHEMBL3434765 0.76 ALDH1A2 (0.32)
SCHEMBL5223920 0.76 MAPK14 (0.37) MAPK14SLC2A1AURKAKDRAURKB
SCHEMBL5222821 0.76 KDR (0.48) SLC2A1AURKAKDRAURKBCDK19
SCHEMBL3442394 0.74 SLC2A1 (0.54) MAPK14SLC2A1AURKAKDRAURKB
SCHEMBL3441817 0.72 SLC2A1 (0.43) MAPK14SLC2A1AURKAKDRAURKB
SCHEMBL5226655 0.72 SLC2A1 (0.40) MAPK14SLC2A1AURKAKDRAURKB
SCHEMBL5229411 0.70 SLC2A1 (0.51) SLC2A1AURKAKDRAURKBCDK19

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