SCHEMBL5044572

SCHEMBL5044572

O=C(Cn1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)c(OC(=O)O)n1)Nc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.66
AURKB Q96GD4 3/20 0.54
PDGFRB P09619 3/20 0.51
PDGFRA P16234 2/20 0.51
CSF1R P07333 1/20 0.51
KIT P10721 1/20 0.51
KDR P35968 5/20 0.47
FLT4 P35916 2/20 0.47
CDK1 P06493 1/20 0.47
FLT1 P17948 1/20 0.47
EGFR P00533 1/20 0.43
BRAF P15056 1/20 0.43
FLT3 P36888 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL5039339 0.92 AURKA (0.62) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL2049861 0.91 AURKA (0.67) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL3424451 0.90 AURKA (0.66) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL2049238 0.87 AURKA (0.64) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL3432058 0.87 AURKA (0.79) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL6024573 0.86 AURKA (0.74) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL5039292 0.86 AURKA (0.74) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL6089265 0.86 AURKA (0.73) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL6027367 0.86 AURKA (0.73) AURKAAURKBPDGFRBPDGFRACSF1R
SCHEMBL3427437 0.81 AURKA (0.67) AURKAAURKBPDGFRBPDGFRACSF1R

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-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP claimed