SCHEMBL3860607

SCHEMBL3860607

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)OC(C)(C)C.CCOP(=O)(O)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.86
AURKB Q96GD4 13/20 0.86
EGFR P00533 4/20 0.86
KDR P35968 4/20 0.86
RIPK2 O43353 2/20 0.86
LCK P06239 2/20 0.86
LYN P07948 2/20 0.86
RET P07949 2/20 0.86
HCK P08631 2/20 0.86
PDGFRB P09619 2/20 0.86
KIT P10721 2/20 0.86
PDGFRA P16234 2/20 0.86
CSNK2A2 P19784 2/20 0.86
FLT3 P36888 2/20 0.86
MST1R Q04912 2/20 0.86
MAP2K5 Q13163 2/20 0.86
AURKC Q9UQB9 2/20 0.86
MAP4K5 Q9Y4K4 2/20 0.86
FYN P06241 1/20 0.86
RAB6A P20340 1/20 0.86

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
SCHEMBL1345032 0.97 AURKA (0.86) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3858181 0.93 AURKA (0.89) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL29368256 0.92 AURKA (1.00) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL29720420 0.92 AURKA (1.00) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL613582 0.92 AURKA (1.00) AURKAAURKBEGFRKDRRIPK2
SCHEMBL1345874 0.92 AURKA (0.85) AURKAAURKBEGFRKDRRIPK2
Defosbarasertib SCHEMBL3858173 0.91 AURKA (0.89) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3862878 0.91 AURKA (0.90) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3490131 0.91 AURKA (0.96) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3491964 0.90 AURKA (0.82) AURKAAURKBEGFRKDRRIPK2

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-2026808-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2009-02-25 EP disclosed
WO-2007132215-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-11-22 WO disclosed