SCHEMBL5773524

SCHEMBL5773524

CCN(CC)C(=O)Oc1c(Br)cc(C=C2C(=O)Nc3ccc(C(=O)c4ccccc4)cc32)cc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.67
AURKA O14965 1/20 0.52
TLK2 Q86UE8 3/20 0.51
JAK3 P52333 2/20 0.47
LRRK2 Q5S007 3/20 0.47
PLK4 O00444 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ERBB2 P04626 2/20 0.44
EGFR P00533 2/20 0.44
MAP1LC3B Q9GZQ8 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
NTRK1 P04629 1/20 0.42
ARAF P10398 1/20 0.42
PIM1 P11309 1/20 0.42

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
SCHEMBL5774275 0.84 RAF1 (0.62) RAF1AURKALRRK2PLK4MEN1
SCHEMBL7979136 0.84 RAF1 (0.62) RAF1AURKALRRK2PLK4MEN1
SCHEMBL5775408 0.82 RAF1 (0.52) RAF1AURKALRRK2PLK4EGFR
SCHEMBL7980522 0.82 RAF1 (0.52) RAF1AURKALRRK2PLK4EGFR
SCHEMBL1394836 0.81 RAF1 (1.00) RAF1AURKATLK2JAK3LRRK2
SCHEMBL1394837 0.81 RAF1 (1.00) RAF1AURKATLK2JAK3LRRK2
SCHEMBL1395177 0.79 RAF1 (0.77) RAF1AURKATLK2JAK3LRRK2
SCHEMBL1395178 0.79 RAF1 (0.77) RAF1AURKATLK2JAK3LRRK2
SCHEMBL5778252 0.75 RAF1 (0.76) RAF1AURKALRRK2PLK4MEN1
SCHEMBL5778246 0.75 RAF1 (0.76) RAF1AURKALRRK2PLK4MEN1

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