SCHEMBL14655949

SCHEMBL14655949

C[C@@H](N)C(=O)N1CCC(C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.53
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMYD3 Q9H7B4 7/20 0.40
▸ FAP Q12884 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ PREP P48147 1/20 0.39

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
SCHEMBL14656010 0.90 DPP4 (0.50) DPP4FAPDPP7DPP8DPP9
SCHEMBL19981814 0.86 DPP4 (0.55) DPP4FAPDPP7DPP8DPP9
SCHEMBL19652203 0.85 MEN1 (0.43) DPP4MEN1ALDH1A1KMT2A
SCHEMBL15203513 0.82 DPP4 (0.55) DPP4KMT2ADPP7DPP8DPP9
SCHEMBL2455912 0.81 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL28132789 0.81 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL2456462 0.81 DPP4 (0.56) DPP4FAPDPP7DPP8DPP9
SCHEMBL2456457 0.81 DPP4 (0.56) DPP4FAPDPP7DPP8DPP9
SCHEMBL14655953 0.81 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL14656008 0.81 DPP4 (0.61) DPP4DPP7DPP8DPP9

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
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