SCHEMBL5041152

SCHEMBL5041152

COc1nc(Nc2cc(CC(=O)Nc3cccc(F)c3F)[nH]n2)c2ccc(OCCCN3CCN(CCO)CC3)cc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.68
AURKB Q96GD4 6/20 0.61
PLK4 O00444 1/20 0.48
CIT O14578 1/20 0.48
MUSK O15146 1/20 0.48
EPHB6 O15197 1/20 0.48
MAP3K7 O43318 1/20 0.48
RIPK2 O43353 1/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
YES1 P07947 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
MET P08581 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
SCHEMBL5041147 0.84 AURKA (0.74) AURKAAURKBPLK4CITMUSK
SCHEMBL4286999 0.81 AURKA (1.00) AURKAAURKB
SCHEMBL3490681 0.80 AURKA (0.71) AURKAAURKBKDR
SCHEMBL5495302 0.79 AURKA (0.59) AURKAAURKBPLK4CITMUSK
SCHEMBL5487200 0.79 AURKA (0.76) AURKAAURKBPLK4CITMUSK
SCHEMBL3489346 0.78 AURKA (0.90) AURKAAURKBPLK4CITMUSK
SCHEMBL6525975 0.78 AURKA (0.90) AURKAAURKBPLK4CITMUSK
SCHEMBL5488372 0.77 AURKA (0.86) AURKAAURKBPLK4CITMUSK
SCHEMBL5494428 0.77 AURKA (0.86) AURKAAURKBPLK4CITMUSK
SCHEMBL3490173 0.77 AURKA (1.00) AURKAAURKBPLK4CITMUSK

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
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed