SCHEMBL6026680

SCHEMBL6026680

[CH2]CN1CCN(CCCOc2ccc3c(Nc4cnn(CC(=O)Nc5cccc(F)c5)c4)ncnc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.61
FLT4 P35916 3/20 0.61
FLT3 P36888 2/20 0.61
AURKA O14965 14/20 0.57
KDR P35968 5/20 0.53
EGFR P00533 2/20 0.53
BRAF P15056 2/20 0.53
CDK1 P06493 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
AURKB Q96GD4 8/20 0.49
KIT P10721 1/20 0.48

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
SCHEMBL2052933 0.94 PDGFRB (0.62) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL2053495 0.92 KDR (0.64) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL5131787 0.91 PDGFRB (0.59) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL3428895 0.90 PDGFRB (0.58) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL2049232 0.90 AURKA (0.62) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL2053145 0.87 FLT3 (0.69) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL5132484 0.86 AURKA (0.67) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL3432058 0.85 AURKA (0.79) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL5132487 0.85 AURKA (0.67) PDGFRBFLT4FLT3AURKAKDR
SCHEMBL5133407 0.84 FLT3 (0.62) PDGFRBFLT4FLT3AURKAKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed