SCHEMBL5239215

SCHEMBL5239215

CC(=O)NC1CCN(S(=O)(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(C#N)c(C)nc3n2)C1I

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.40
▸ DPP8 Q6V1X1 19/20 0.40
▸ DPP9 Q86TI2 18/20 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
SCHEMBL1407594 0.84 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL1407597 0.84 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL1407693 0.70 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL1407696 0.70 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL1407605 0.69 DPP4 (0.35) DPP4DPP8DPP9
SCHEMBL1408154 0.69 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL1407964 0.68 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL1407840 0.68 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL13605115 0.66 DPP4 (0.60) DPP4DPP8DPP9
SCHEMBL8260399 0.66 DPP4 (0.61) DPP4DPP8DPP9

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
EP-1836206-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Bristol-Myers Squibb Company (US) 2007-09-26 — — EP disclosed
WO-2006071752-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 — — WO disclosed
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