SCHEMBL5133733

SCHEMBL5133733

COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCN1CCC[C@@H]1C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.66
PDGFRB P09619 5/20 0.60
FLT4 P35916 5/20 0.60
FLT3 P36888 4/20 0.60
AURKB Q96GD4 2/20 0.58
CSF1R P07333 3/20 0.55
KIT P10721 1/20 0.55
PDGFRA P16234 1/20 0.55
CYP3A4 P08684 1/20 0.52
RET P07949 1/20 0.48
KIF5B P33176 1/20 0.48

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
SCHEMBL5133569 1.00 AURKA (0.66) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL5131914 0.97 AURKA (0.70) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL5131974 0.97 AURKA (0.70) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL3426897 0.93 AURKA (0.76) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL5133566 0.93 AURKA (0.65) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2052900 0.93 AURKA (0.76) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL5133730 0.93 AURKA (0.65) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL5133601 0.92 AURKA (0.63) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2048431 0.91 AURKA (0.73) AURKAPDGFRBFLT4FLT3AURKB
SCHEMBL2050773 0.90 AURKA (0.66) AURKAPDGFRBFLT4FLT3AURKB

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-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP claimed