SCHEMBL5774829

SCHEMBL5774829

O=C1Nc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C1=Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.71
RAF1 P04049 12/20 0.63
PIK3C3 Q8NEB9 1/20 0.63
MAP1LC3B Q9GZQ8 3/20 0.61
PSEN1 P49768 1/20 0.61
PSEN2 P49810 1/20 0.61
APH1B Q8WW43 1/20 0.61
NCSTN Q92542 1/20 0.61
APH1A Q96BI3 1/20 0.61
PSENEN Q9NZ42 1/20 0.61
EGFR P00533 1/20 0.61
NTRK1 P04629 1/20 0.61
ARAF P10398 1/20 0.61
PIM1 P11309 1/20 0.61
BRAF P15056 1/20 0.61
CSNK2A1 P68400 1/20 0.61
PIM3 Q86V86 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
MYOC Q99972 1/20 0.61

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
SCHEMBL5774827 1.00 LRRK2 (0.71) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5776369 0.83 LRRK2 (1.00) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5776367 0.83 LRRK2 (1.00) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5775715 0.79 LRRK2 (0.76) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5772153 0.79 LRRK2 (0.72) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5772149 0.79 LRRK2 (0.72) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL3753224 0.79 RAF1 (0.73) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL3754416 0.79 MAP1LC3B (0.88) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5774043 0.79 MAP1LC3B (0.88) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5774039 0.79 MAP1LC3B (0.88) LRRK2RAF1PIK3C3MAP1LC3BPSEN1

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-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
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