SCHEMBL4855706

SCHEMBL4855706

COc1cc(Cl)c(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.50
TAS2R8 Q9NYW2 5/20 0.46
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2938337 0.87 IGF1R (0.54) IGF1RTAS2R8
SCHEMBL4861609 0.77 IGF1R (0.51) IGF1RTAS2R8HDAC1HDAC6
SCHEMBL2935325 0.76 IGF1R (0.53) IGF1RTAS2R8
SCHEMBL3729601 0.76 IGF1R (0.49) IGF1RTAS2R8HDAC1HDAC6
SCHEMBL13177520 0.74 IGF1R (0.58) IGF1RTAS2R8
SCHEMBL13177530 0.74 IGF1R (0.50) IGF1RTAS2R8HDAC1HDAC6
SCHEMBL13039129 0.74 IGF1R (0.67) IGF1RTAS2R8
SCHEMBL19410365 0.73 IGF1R (0.49) IGF1RTAS2R8HDAC1HDAC6
SCHEMBL2942354 0.73 IGF1R (0.59) IGF1RTAS2R8
SCHEMBL19410409 0.73 IGF1R (0.46) IGF1RTAS2R8HDAC1HDAC6

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
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed