SCHEMBL28133450

SCHEMBL28133450

CC(C)(C)C(N)C(=O)N1CC(C#N)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 17/20 0.51
▸ DPP8 Q6V1X1 5/20 0.51
▸ DPP9 Q86TI2 5/20 0.51
▸ DPP7 Q9UHL4 2/20 0.39
▸ FAP Q12884 2/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL14655442 1.00 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
Trifluoroacetic Acid SCHEMBL14738523 0.91 DPP4 (0.45) DPP4DPP8DPP9DPP7
SCHEMBL15203437 0.87 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL15203541 0.87 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL15203546 0.85 DPP4 (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL15203468 0.85 DPP4 (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL14655934 0.85 DPP4 (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL2456457 0.83 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL2456462 0.83 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL9901341 0.81 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP

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
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 — — CN disclosed
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