SCHEMBL5491635

SCHEMBL5491635

O=C(Cc1cc(Nc2ncnc3cc(OCCC(NCCOP(=O)(O)O)C4CCCC4)ccc23)n[nH]1)Nc1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.69
AURKB Q96GD4 9/20 0.69
KDR P35968 4/20 0.69
PDGFRB P09619 3/20 0.69
PDGFRA P16234 3/20 0.69
RIPK2 O43353 2/20 0.69
EGFR P00533 2/20 0.69
LCK P06239 2/20 0.69
LYN P07948 2/20 0.69
RET P07949 2/20 0.69
HCK P08631 2/20 0.69
KIT P10721 2/20 0.69
CSNK2A2 P19784 2/20 0.69
FLT3 P36888 2/20 0.69
MST1R Q04912 2/20 0.69
MAP2K5 Q13163 2/20 0.69
AURKC Q9UQB9 2/20 0.69
MAP4K5 Q9Y4K4 2/20 0.69
FYN P06241 1/20 0.69
RAB6A P20340 1/20 0.69

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
SCHEMBL5488408 0.90 AURKA (0.63) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL6526344 0.88 AURKA (0.65) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL5489361 0.87 AURKA (0.66) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3489689 0.84 AURKA (0.78) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3490131 0.82 AURKA (0.96) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL5485931 0.82 AURKA (0.78) AURKAAURKBKDRPDGFRBPDGFRA
Barasertib SCHEMBL29368256 0.81 AURKA (1.00) AURKAAURKBKDRPDGFRBPDGFRA
Barasertib SCHEMBL29720420 0.81 AURKA (1.00) AURKAAURKBKDRPDGFRBPDGFRA
Barasertib SCHEMBL613582 0.81 AURKA (1.00) AURKAAURKBKDRPDGFRBPDGFRA
SCHEMBL3490714 0.81 AURKA (0.84) AURKAAURKBKDRPDGFRBPDGFRA

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-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 EP disclosed