SCHEMBL7979353

SCHEMBL7979353

COc1cc(C=C2C(=O)Nc3ccc(Br)cc32)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 4/20 1.00
PLK1 P53350 1/20 1.00
DHFR P00374 1/20 0.61
MAP1LC3B Q9GZQ8 1/20 0.60
LRRK2 Q5S007 4/20 0.58
PSEN1 P49768 2/20 0.56
PSEN2 P49810 2/20 0.56
APH1B Q8WW43 2/20 0.56
NCSTN Q92542 2/20 0.56
APH1A Q96BI3 2/20 0.56
PSENEN Q9NZ42 2/20 0.56
RAF1 P04049 2/20 0.55
RET P07949 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM1A O60341 1/20 0.53
AURKA O14965 1/20 0.53
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 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
SCHEMBL7979350 1.00 PLK4 (1.00) PLK4PLK1DHFRMAP1LC3BLRRK2
SCHEMBL1395360 0.89 PLK4 (0.80) PLK4PLK1DHFRMAP1LC3BLRRK2
SCHEMBL1395363 0.89 PLK4 (0.80) PLK4PLK1DHFRMAP1LC3BLRRK2
SCHEMBL1394626 0.89 PLK4 (0.80) PLK4PLK1DHFRLRRK2PSEN1
SCHEMBL1394624 0.89 PLK4 (0.80) PLK4PLK1DHFRLRRK2PSEN1
SCHEMBL30578769 0.89 PLK4 (0.80) PLK4PLK1DHFRMAP1LC3BLRRK2
SCHEMBL1395087 0.89 PLK4 (0.79) PLK4PLK1MAP1LC3BLRRK2PSEN1
SCHEMBL1395085 0.89 PLK4 (0.79) PLK4PLK1MAP1LC3BLRRK2PSEN1
SCHEMBL5082716 0.85 DHFR (0.84) PLK4PLK1DHFRRAF1KMT2A
SCHEMBL5082711 0.85 DHFR (0.84) PLK4PLK1DHFRRAF1KMT2A

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-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed