SCHEMBL4611101

SCHEMBL4611101

CCOc1cc(OCC2CCCCN2)c2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.46
CSF1R P07333 3/20 0.46
KIT P10721 2/20 0.46
PDGFRA P16234 2/20 0.46
AURKA O14965 11/20 0.45
CYP3A4 P08684 1/20 0.45
FLT4 P35916 5/20 0.42
FLT3 P36888 4/20 0.42
TYK2 P29597 1/20 0.38
AURKB Q96GD4 2/20 0.37

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
SCHEMBL2798384 1.00 PDGFRB (0.46) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL4926567 0.98 PDGFRB (0.46) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL2797258 0.94 AURKA (0.48) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL3428927 0.92 AURKA (0.49) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL4923895 0.90 PDGFRB (0.42) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL2800763 0.88 AURKA (0.49) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL4923004 0.87 AURKA (0.51) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL2797899 0.87 AURKA (0.47) PDGFRBCSF1RKITPDGFRAAURKA
Hydrochloric Acid SCHEMBL2800072 0.86 AURKA (0.47) PDGFRBCSF1RKITPDGFRAAURKA
SCHEMBL4924647 0.86 AURKA (0.49) PDGFRBCSF1RKITPDGFRAAURKA

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-1979344-A2 N-(2,3-DIFLUOROPHENYL)-2-[4-({7-METHOXY-5-[(2R)-PIPERIDIN.-2-YLMETHOXY]QUINAZOLIN-4-YL}AMINO)-1H-PYRAZOL-1-YL]ACETAMIDE AND N-(2,3-DIFLUOROPHENYL)-2-[4-({7-ETHOXY-5-[(2R)-PIPERIDIN.-2-YLMETHOXY]QUINAZOLIN-4-YL}AMINO)-1H-PYRAZOL-1-YL]ACETAMIDE FOR USE IN THE TREATMENT OF DISEASE AstraZeneca AB (SE) 2008-10-15 EP disclosed