SCHEMBL12856488

SCHEMBL12856488

Bc1cc(/C=C2\C(=O)Nc3ccc(C(=O)c4ccccc4)cc32)cc(B)c1O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.76
▸ TLK2 Q86UE8 3/20 0.62
▸ JAK3 P52333 3/20 0.57
▸ ULK1 O75385 1/20 0.55
▸ KIF15 Q9NS87 1/20 0.55
▸ LRRK2 Q5S007 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ GSK3B P49841 3/20 0.51
▸ PIM1 P11309 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL5080462 0.86 RAF1 (0.76) RAF1TLK2JAK3ULK1KIF15
SCHEMBL1394836 0.86 RAF1 (1.00) RAF1TLK2JAK3ULK1KIF15
SCHEMBL1395408 0.86 RAF1 (0.76) RAF1TLK2JAK3ULK1KIF15
SCHEMBL1394837 0.86 RAF1 (1.00) RAF1TLK2JAK3ULK1KIF15
SCHEMBL1395177 0.77 RAF1 (0.77) RAF1TLK2JAK3KIF15LRRK2
SCHEMBL1395178 0.77 RAF1 (0.77) RAF1TLK2JAK3KIF15LRRK2
SCHEMBL5084106 0.76 RAF1 (0.67) RAF1TLK2JAK3ULK1KIF15
SCHEMBL1394705 0.76 RAF1 (0.67) RAF1TLK2JAK3ULK1KIF15
SCHEMBL1394700 0.76 RAF1 (0.80) RAF1TLK2ULK1KIF15LRRK2
SCHEMBL5080490 0.76 RAF1 (0.80) RAF1TLK2ULK1KIF15LRRK2

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-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 — — EP disclosed
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