SCHEMBL5774559

SCHEMBL5774559

O=C1Nc2ccc(C(=O)c3cccnc3)cc2/C1=C/c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.77
PIK3C3 Q8NEB9 1/20 0.70
JAK3 P52333 1/20 0.66
AURKA O14965 1/20 0.62
LRRK2 Q5S007 3/20 0.57
MAP1LC3B Q9GZQ8 3/20 0.57
KIF15 Q9NS87 2/20 0.57
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57
EGFR P00533 1/20 0.57
NTRK1 P04629 1/20 0.57
ARAF P10398 1/20 0.57
PIM1 P11309 1/20 0.57
BRAF P15056 1/20 0.57
CSNK2A1 P68400 1/20 0.57
PIM3 Q86V86 1/20 0.57

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
SCHEMBL5774564 1.00 RAF1 (0.77) RAF1PIK3C3JAK3AURKALRRK2
SCHEMBL1394485 0.89 RAF1 (0.61) RAF1PIK3C3JAK3AURKALRRK2
SCHEMBL1394486 0.89 RAF1 (0.61) RAF1PIK3C3JAK3AURKALRRK2
SCHEMBL1394544 0.88 JAK3 (0.66) RAF1PIK3C3JAK3KIF15PLK4
SCHEMBL1394541 0.88 JAK3 (0.66) RAF1PIK3C3JAK3KIF15PLK4
SCHEMBL5080490 0.88 RAF1 (0.80) RAF1PIK3C3AURKALRRK2MAP1LC3B
SCHEMBL1394700 0.88 RAF1 (0.80) RAF1PIK3C3AURKALRRK2MAP1LC3B
SCHEMBL1394836 0.87 RAF1 (1.00) RAF1PIK3C3JAK3AURKALRRK2
SCHEMBL1394837 0.87 RAF1 (1.00) RAF1PIK3C3JAK3AURKALRRK2
SCHEMBL5772199 0.82 RAF1 (1.00) RAF1PIK3C3JAK3AURKALRRK2

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-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