SCHEMBL5133097

SCHEMBL5133097

C#CN1CCN(CCCOc2ccc3c(Nc4cnn(CC(=O)Nc5cccc(F)c5F)c4)ncnc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.57
CSF1R P07333 1/20 0.57
KIT P10721 1/20 0.57
PDGFRA P16234 1/20 0.57
CYP3A4 P08684 1/20 0.53
AURKA O14965 15/20 0.51
EGFR P00533 2/20 0.48
BRAF P15056 2/20 0.48
KDR P35968 2/20 0.48
AURKB Q96GD4 9/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL2052671 0.92 PDGFRB (0.61) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL3427296 0.92 PDGFRB (0.62) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5132753 0.91 PDGFRB (0.54) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL2049957 0.90 PDGFRB (0.57) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL2049418 0.90 PDGFRB (0.60) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL2052876 0.90 EGFR (0.60) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL2050118 0.90 PDGFRB (0.58) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5131787 0.89 PDGFRB (0.59) PDGFRBKITPDGFRAAURKAEGFR
SCHEMBL2050779 0.89 CYP3A4 (0.62) PDGFRBCSF1RKITPDGFRACYP3A4
SCHEMBL5133537 0.88 PDGFRB (0.54) 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