SCHEMBL5962331

SCHEMBL5962331

CCCN(CCCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2c1)CCOP(=O)(O)O.CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCCOP(=O)(O)O.COCCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.81
AURKB Q96GD4 9/20 0.81
EGFR P00533 3/20 0.81
KDR P35968 3/20 0.81
RIPK2 O43353 2/20 0.81
LCK P06239 2/20 0.81
LYN P07948 2/20 0.81
RET P07949 2/20 0.81
HCK P08631 2/20 0.81
PDGFRB P09619 2/20 0.81
KIT P10721 2/20 0.81
PDGFRA P16234 2/20 0.81
CSNK2A2 P19784 2/20 0.81
FLT3 P36888 2/20 0.81
MST1R Q04912 2/20 0.81
MAP2K5 Q13163 2/20 0.81
AURKC Q9UQB9 2/20 0.81
MAP4K5 Q9Y4K4 2/20 0.81
FYN P06241 1/20 0.81
RAB6A P20340 1/20 0.81

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
SCHEMBL6532536 0.98 AURKA (0.79) AURKAAURKBEGFRKDRRIPK2
SCHEMBL4275319 0.93 AURKA (0.94) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3488610 0.91 AURKA (0.81) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3489615 0.91 AURKA (0.81) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3490029 0.91 AURKA (0.84) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3488870 0.91 AURKA (0.84) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3489414 0.90 AURKA (0.93) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL29368256 0.90 AURKA (1.00) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3489712 0.90 AURKA (0.90) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL613582 0.90 AURKA (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2006-06-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885EGFR 861/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.