SCHEMBL6025875

SCHEMBL6025875

CC(C)Oc1cc(OCCCCl)cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c12.ClCCCBr

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
PDGFRB P09619 5/20 0.44
CSF1R P07333 3/20 0.44
KIT P10721 2/20 0.44
PDGFRA P16234 2/20 0.44
FLT4 P35916 5/20 0.44
FLT3 P36888 4/20 0.44
CYP3A4 P08684 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 9/20 0.40
KDR P35968 8/20 0.40

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
SCHEMBL2053490 0.97 PDGFRB (0.47) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2052693 0.89 PDGFRB (0.53) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2050544 0.89 AURKA (0.57) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL5131119 0.88 PDGFRB (0.44) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2049987 0.88 AURKA (0.47) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL6027640 0.87 PDGFRB (0.51) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2052818 0.87 AURKA (0.50) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2053015 0.86 PDGFRB (0.49) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL2050407 0.86 CYP3A4 (0.48) AURKAPDGFRBCSF1RKITPDGFRA
SCHEMBL3429640 0.86 FLT4 (0.49) 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 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