SCHEMBL14655971

SCHEMBL14655971

N#CC1CN(C(=O)[C@@H](N)C2CCOCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.45
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 3/20 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
SCHEMBL14655365 1.00 DPP4 (0.45) DPP4DPP8DPP9DPP7
SCHEMBL2379157 0.89 DPP4 (0.51) DPP4DPP8DPP9DPP7
SCHEMBL2379160 0.89 DPP4 (0.51) DPP4DPP8DPP9DPP7
SCHEMBL14655989 0.86 DPP4 (0.61) DPP4DPP8DPP9DPP7
SCHEMBL15203502 0.84 DPP4 (0.64) DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL14738122 0.79 DPP4 (0.47) DPP4DPP8DPP9DPP7
SCHEMBL14655637 0.78 DPP4 (0.53) DPP4DPP8DPP9DPP7
SCHEMBL14655499 0.78 DPP4 (0.53) DPP4DPP8DPP9DPP7
SCHEMBL4703124 0.77 DPP4 (0.47) DPP4DPP8DPP9DPP7
SCHEMBL27978864 0.74 DPP4 (0.49) DPP4DPP8DPP9DPP7

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 4 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
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 — — EP disclosed
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