SCHEMBL6026410

SCHEMBL6026410

COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCN1CCCCC1CCO

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.66
AURKB Q96GD4 2/20 0.59
PDGFRB P09619 4/20 0.57
FLT4 P35916 4/20 0.57
FLT3 P36888 3/20 0.57
CSF1R P07333 2/20 0.56
KIT P10721 1/20 0.56
PDGFRA P16234 1/20 0.56
CYP3A4 P08684 1/20 0.52

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
SCHEMBL2050329 1.00 AURKA (0.66) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL2050773 1.00 AURKA (0.66) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL2053463 0.97 AURKA (0.71) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL2048431 0.95 AURKA (0.73) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL2052900 0.93 AURKA (0.76) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL3426897 0.93 AURKA (0.76) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL3427142 0.90 AURKA (0.81) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL3429296 0.90 AURKA (0.81) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL5133733 0.90 AURKA (0.66) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL5133569 0.90 AURKA (0.66) AURKAAURKBPDGFRBFLT4FLT3

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-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed