SCHEMBL5828082

SCHEMBL5828082

COc1cc(Cl)c(/C=C/c2cc3cc(OC)ccc3[nH]2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.50
CA2 P00918 2/20 0.47
FLT3 P36888 6/20 0.46
PDGFRB P09619 3/20 0.46
PDGFRA P16234 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 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
SCHEMBL5828084 1.00 AXL (0.50) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5828046 0.90 FLT3 (0.51) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5828048 0.90 FLT3 (0.51) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5827972 0.86 AXL (0.50) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5827969 0.86 AXL (0.50) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5829136 0.83 AXL (0.50) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5829134 0.83 AXL (0.50) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5829170 0.83 AXL (0.44) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5829166 0.83 AXL (0.44) AXLCA2FLT3PDGFRBPDGFRA
SCHEMBL5828295 0.81 NFE2L2 (0.55) AXLFLT3PDGFRBPDGFRALOXL2

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
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed