SCHEMBL5131970

SCHEMBL5131970

[CH2][C@H]1CCCN1CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.69
AURKB Q96GD4 2/20 0.62
PDGFRB P09619 4/20 0.59
CSF1R P07333 2/20 0.59
KIT P10721 1/20 0.59
PDGFRA P16234 1/20 0.59
FLT4 P35916 4/20 0.59
FLT3 P36888 3/20 0.59
CYP3A4 P08684 1/20 0.56

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
SCHEMBL5131911 1.00 AURKA (0.69) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5133730 0.97 AURKA (0.65) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5133566 0.97 AURKA (0.65) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5133594 0.94 AURKA (0.61) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5131914 0.93 AURKA (0.70) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5131974 0.93 AURKA (0.70) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL3427142 0.93 AURKA (0.81) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL3429296 0.93 AURKA (0.81) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5133733 0.90 AURKA (0.66) AURKAAURKBPDGFRBCSF1RKIT
SCHEMBL5133569 0.90 AURKA (0.66) AURKAAURKBPDGFRBCSF1RKIT

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