SCHEMBL5435563

SCHEMBL5435563

COC(=O)Cc1cn2c(-c3ccc(Cl)cc3Cl)c(C#N)c(S(C)(=O)=O)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 16/20 0.39
▸ DPP8 Q6V1X1 15/20 0.39
▸ DPP9 Q86TI2 15/20 0.39
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 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
SCHEMBL1407964 0.87 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL1408154 0.77 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL1407499 0.75 DPP4 (0.66) DPP4DPP8DPP9
SCHEMBL1408018 0.75 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL1407840 0.73 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL1407767 0.64 DPP4 (0.67) DPP4DPP8DPP9
SCHEMBL293409 0.64 GSK3A (0.44) DPP4DPP8DPP9GSK3AGSK3B
SCHEMBL1408126 0.63 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL1407624 0.62 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL1408124 0.62 DPP4 (0.48) 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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