SCHEMBL5048606

SCHEMBL5048606

CC(C)(C)[C]([C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.64
PDGFRB P09619 5/20 0.57
FLT4 P35916 4/20 0.57
FLT3 P36888 4/20 0.57
KDR P35968 6/20 0.52
KIT P10721 4/20 0.51
PDGFRA P16234 3/20 0.51
CSF1R P07333 2/20 0.51
FLT1 P17948 2/20 0.51
CDK1 P06493 1/20 0.51
CYP3A4 P08684 1/20 0.49
AURKB Q96GD4 6/20 0.48
EGFR P00533 2/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
MUSK O15146 1/20 0.44
EPHB6 O15197 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44

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
SCHEMBL5132487 0.90 AURKA (0.67) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5048611 0.89 AURKA (0.63) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL5132484 0.89 AURKA (0.67) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3432058 0.89 AURKA (0.79) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL2053172 0.86 AURKA (0.69) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3424557 0.86 AURKA (0.66) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3489918 0.84 AURKA (0.81) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3490953 0.84 AURKA (0.81) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL3429579 0.83 AURKA (0.58) AURKAPDGFRBFLT4FLT3KDR
SCHEMBL2049232 0.83 AURKA (0.62) AURKAPDGFRBFLT4FLT3KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635837-B1 (3-((QUINAZOLIN-4-YL)AMINO)-1H-PYRAZOL-1-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2008-07-16 EP disclosed
EP-1635837-A1 (3-((QUINAZOLIN-4-YL)AMINO)-1H-PYRAZOL-1-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004105764-A1 (3- ((QUINAZOLIN-4-YL) AMINO )-1H-PYRAZOL-1-YL) ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS AURORA KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ASTRAZENECA AB (SE) 2004-12-09 WO disclosed