SCHEMBL5488382

SCHEMBL5488382

CC(C)(C)C(OP(=O)(O)O)C(N(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)C1CCCC1)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.66
AURKB Q96GD4 10/20 0.66
KDR P35968 3/20 0.66
RIPK2 O43353 2/20 0.66
EGFR P00533 2/20 0.66
LCK P06239 2/20 0.66
LYN P07948 2/20 0.66
RET P07949 2/20 0.66
HCK P08631 2/20 0.66
PDGFRB P09619 2/20 0.66
KIT P10721 2/20 0.66
PDGFRA P16234 2/20 0.66
CSNK2A2 P19784 2/20 0.66
FLT3 P36888 2/20 0.66
MST1R Q04912 2/20 0.66
MAP2K5 Q13163 2/20 0.66
AURKC Q9UQB9 2/20 0.66
MAP4K5 Q9Y4K4 2/20 0.66
FYN P06241 1/20 0.66
RAB6A P20340 1/20 0.66

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
SCHEMBL5489659 0.91 AURKA (0.63) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5494364 0.89 AURKA (0.71) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5493104 0.89 AURKA (0.68) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3489689 0.84 AURKA (0.78) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5488369 0.84 AURKA (0.72) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5488360 0.83 AURKA (0.66) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3489238 0.83 AURKA (0.68) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3488677 0.82 AURKA (0.77) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5491559 0.82 AURKA (0.72) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3490773 0.81 AURKA (0.77) AURKAAURKBKDRRIPK2EGFR

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-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP disclosed