SCHEMBL5133680

SCHEMBL5133680

C#CCN(CCC)CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.58
AURKB Q96GD4 7/20 0.55
PDGFRB P09619 5/20 0.51
CSF1R P07333 3/20 0.51
KIT P10721 2/20 0.51
PDGFRA P16234 2/20 0.51
CYP3A4 P08684 1/20 0.48
EGFR P00533 3/20 0.47
KDR P35968 3/20 0.47
BRAF P15056 2/20 0.47
FLT4 P35916 5/20 0.47
FLT3 P36888 4/20 0.47
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
MUSK O15146 1/20 0.43
EPHB6 O15197 1/20 0.43
MAP3K7 O43318 1/20 0.43
RIPK2 O43353 1/20 0.43
STK10 O94804 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL5133960 0.97 AURKA (0.57) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL2051829 0.92 AURKA (0.68) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL3431132 0.92 AURKA (0.64) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5132955 0.91 AURKA (0.55) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5133450 0.90 AURKA (0.54) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL2051077 0.90 AURKA (0.58) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL2053257 0.89 AURKA (0.68) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL2049366 0.89 AURKA (0.64) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL2052816 0.89 AURKA (0.58) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL6027101 0.88 AURKA (0.54) AURKAAURKBPDGFRBCSF1RKIT

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