SCHEMBL6424161

SCHEMBL6424161

Cn1cc(C2=C(c3cn(COC(=O)CCCC(=O)O)c4ccccc34)C(=O)NC2=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
CAMK2D Q13557 1/20 0.47
GSK3B P49841 2/20 0.47
QPCT Q16769 2/20 0.47

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
SCHEMBL6424296 0.87 CCNE2 (0.50)
SCHEMBL6424699 0.87 PRKACA (0.44)
SCHEMBL6948330 0.84 CCNE2 (0.54) PIM1CAMK2DGSK3BQPCT
SCHEMBL6427037 0.83 CCNE2 (0.57)
SCHEMBL7164524 0.81 CCNT1 (0.47)
Enmd-981693 SCHEMBL29350364 0.80 CCNE2 (0.69) GSK3B
Enmd-981693 SCHEMBL608128 0.80 CCNE2 (0.69) GSK3B
SCHEMBL6425680 0.79 GSK3B (0.49) GSK3B
SCHEMBL6956384 0.79 CCNT1 (0.46)
SCHEMBL6425419 0.78 GSK3B (0.45) GSK3BQPCT

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-1242408-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2005-10-12 EP claimed