SCHEMBL5488489

SCHEMBL5488489

[CH2]C(N(CC)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1F)(C(C)(C)C)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.67
AURKB Q96GD4 12/20 0.67
RIPK2 O43353 2/20 0.62
EGFR P00533 2/20 0.62
LCK P06239 2/20 0.62
LYN P07948 2/20 0.62
RET P07949 2/20 0.62
HCK P08631 2/20 0.62
PDGFRB P09619 2/20 0.62
KIT P10721 2/20 0.62
PDGFRA P16234 2/20 0.62
CSNK2A2 P19784 2/20 0.62
KDR P35968 2/20 0.62
FLT3 P36888 2/20 0.62
MST1R Q04912 2/20 0.62
MAP2K5 Q13163 2/20 0.62
AURKC Q9UQB9 2/20 0.62
MAP4K5 Q9Y4K4 2/20 0.62
PLK4 O00444 1/20 0.62
CIT O14578 1/20 0.62

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
SCHEMBL5489198 0.87 AURKA (0.73) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3489946 0.87 AURKA (0.88) AURKAAURKBRIPK2EGFRLCK
SCHEMBL5486839 0.86 AURKA (0.70) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3491513 0.85 AURKA (0.70) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3489829 0.84 AURKA (0.83) AURKAAURKBRIPK2EGFRLCK
SCHEMBL5484997 0.84 AURKA (0.73) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3488734 0.84 AURKA (0.70) AURKAAURKBRIPK2EGFRLCK
Phosphoric Acid SCHEMBL3489128 0.83 AURKA (0.71) AURKAAURKBRIPK2EGFRLCK
SCHEMBL5493087 0.83 AURKA (0.75) AURKAAURKBRIPK2EGFRLCK
SCHEMBL5489538 0.83 AURKA (0.72) AURKAAURKBRIPK2EGFRLCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 EP disclosed