SCHEMBL5133239

SCHEMBL5133239

COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCC[As](C)C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 4/20 0.66
PDGFRB P09619 3/20 0.66
FLT3 P36888 3/20 0.66
AURKA O14965 12/20 0.59
CSF1R P07333 1/20 0.59
HDAC3 O15379 4/20 0.53
KDR P35968 4/20 0.53
HDAC4 P56524 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
AURKB Q96GD4 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
SCHEMBL2048731 0.92 FLT4 (0.69) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2053593 0.91 FLT4 (0.69) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL3427124 0.91 FLT4 (0.69) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2053380 0.90 FLT4 (0.66) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2052919 0.89 FLT4 (0.66) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2053181 0.88 AURKA (0.64) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2048943 0.88 AURKA (0.66) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL2048821 0.88 AURKA (0.73) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL3429594 0.88 AURKA (0.64) FLT4PDGFRBFLT3AURKACSF1R
SCHEMBL6032541 0.88 AURKA (0.59) FLT4PDGFRBFLT3AURKACSF1R

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 disclosed