SCHEMBL5133601

SCHEMBL5133601

C[C@@H]1CCCN1CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1F

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.63
PDGFRB P09619 4/20 0.59
CSF1R P07333 2/20 0.59
KIT P10721 1/20 0.59
PDGFRA P16234 1/20 0.59
AURKB Q96GD4 2/20 0.56
CYP3A4 P08684 1/20 0.56
FLT4 P35916 4/20 0.52
FLT3 P36888 3/20 0.52

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
SCHEMBL5131974 0.95 AURKA (0.70) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL5131914 0.95 AURKA (0.70) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL5133594 0.92 AURKA (0.61) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2048893 0.92 AURKA (0.72) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL5133569 0.92 AURKA (0.66) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL5133733 0.92 AURKA (0.66) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL5133625 0.91 PDGFRB (0.68) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL5133944 0.91 PDGFRB (0.68) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL3431066 0.89 CYP3A4 (0.71) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL3427142 0.88 AURKA (0.81) AURKAPDGFRBCSF1RKITPDGFRA

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