SCHEMBL6526344

SCHEMBL6526344

COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCC(NCCOP(=O)(O)O)C1CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.65
AURKB Q96GD4 8/20 0.65
RIPK2 O43353 1/20 0.57
EGFR P00533 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
LYN P07948 1/20 0.57
RET P07949 1/20 0.57
HCK P08631 1/20 0.57
PDGFRB P09619 1/20 0.57
KIT P10721 1/20 0.57
PDGFRA P16234 1/20 0.57
CSNK2A2 P19784 1/20 0.57
RAB6A P20340 1/20 0.57
KDR P35968 1/20 0.57
FLT3 P36888 1/20 0.57
MST1R Q04912 1/20 0.57
MAP2K5 Q13163 1/20 0.57
DYRK1A Q13627 1/20 0.57
AURKC Q9UQB9 1/20 0.57

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
SCHEMBL5489361 0.98 AURKA (0.66) AURKAAURKBRIPK2EGFRLCK
SCHEMBL5491635 0.88 AURKA (0.69) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3490562 0.86 AURKA (0.84) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3488623 0.86 AURKA (0.71) AURKAAURKBRIPK2EGFRLCK
SCHEMBL2050460 0.85 FLT4 (0.67) AURKAAURKBEGFRPDGFRBKDR
SCHEMBL3489055 0.84 AURKA (0.72) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3489845 0.82 AURKA (0.85) AURKAAURKB
SCHEMBL3489274 0.82 AURKA (0.84) AURKAAURKB
SCHEMBL3489398 0.81 AURKA (0.74) AURKAAURKBRIPK2EGFRLCK
SCHEMBL6525973 0.81 AURKA (0.84) AURKAAURKB

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-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 EP disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 WO disclosed