SCHEMBL15085567

SCHEMBL15085567

CN(CC#N)C(=O)[CH]C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.46
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CASP1 P29466 1/20 0.33
MCL1 Q07820 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL21680839 0.76
SCHEMBL3405331 0.75
SCHEMBL5437107 0.74
SCHEMBL6227300 0.72 DPP4 (0.50) DPP4MCL1DPP9
SCHEMBL19502832 0.71 CA12 (0.31)
SCHEMBL14655362 0.69 DPP4 (0.47) DPP4CASP1MCL1DPP9
SCHEMBL1802826 0.69
SCHEMBL3398049 0.69
SCHEMBL6627631 0.69
Water SCHEMBL731137 0.69

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481541-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US claimed
US-8481541-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed