SCHEMBL5133944

SCHEMBL5133944

C[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.68
CSF1R P07333 1/20 0.68
KIT P10721 1/20 0.68
PDGFRA P16234 1/20 0.68
CYP3A4 P08684 1/20 0.64
AURKA O14965 16/20 0.60
AURKB Q96GD4 6/20 0.56
FLT4 P35916 2/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL5133625 1.00 PDGFRB (0.68) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5133943 0.92 PDGFRB (0.68) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL2049234 0.92 PDGFRB (0.79) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5048615 0.92 PDGFRB (0.68) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL6026826 0.92 PDGFRB (0.79) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL3428320 0.92 PDGFRB (0.79) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5133601 0.91 AURKA (0.63) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5131914 0.90 AURKA (0.70) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5131974 0.90 AURKA (0.70) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5132487 0.90 AURKA (0.67) PDGFRBCSF1RKITPDGFRACYP3A4

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