SCHEMBL14655431

SCHEMBL14655431

C[C@H](C[CH]C(=O)N1CC(C#N)C1)C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.31

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
SCHEMBL15203457 0.86 DPP4 (0.35) DPP4
SCHEMBL17152270 0.78 PDK1 (0.38)
SCHEMBL14737247 0.76 JAK3 (0.31)
SCHEMBL6053655 0.74 ALDH1A1 (0.36)
SCHEMBL17152479 0.73 DPP4 (0.47) DPP4
SCHEMBL14738007 0.73
SCHEMBL14152389 0.72 DPP4 (0.34) DPP4
SCHEMBL17152299 0.72 HTR1A (0.40)
SCHEMBL17152246 0.71 DPP4 (0.38) DPP4
SCHEMBL14655415 0.71 JAK3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed