SCHEMBL5485617

SCHEMBL5485617

CC(C)(C)C1CC(COc2ccc3c(Nc4cc(CC(=O)Nc5cccc(F)c5F)[nH]n4)ncnc3c2)CCN1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.63
AURKB Q96GD4 5/20 0.59
KDR P35968 5/20 0.47
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
PLK4 O00444 1/20 0.46
CIT O14578 1/20 0.46
MUSK O15146 1/20 0.46
EPHB6 O15197 1/20 0.46
MAP3K7 O43318 1/20 0.46
RIPK2 O43353 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL3489740 0.86 AURKA (0.65) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3490681 0.84 AURKA (0.71) AURKAAURKBKDR
SCHEMBL5491808 0.84 AURKA (0.67) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3490155 0.84 AURKA (0.70) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3489817 0.83 AURKA (0.65) AURKAAURKBKDR
SCHEMBL3490470 0.82 AURKA (0.63) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3490939 0.82 AURKA (0.63) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3490477 0.81 AURKA (0.67) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL5491101 0.80 AURKA (0.69) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3488760 0.79 AURKA (0.69) AURKAAURKBKDRPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP disclosed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 EP disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 WO disclosed