SCHEMBL8258689

SCHEMBL8258689

COc1cccc(CCNC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76
DPP8 Q6V1X1 19/20 0.76
DPP9 Q86TI2 18/20 0.76

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
SCHEMBL12809490 0.94 DPP4 (0.67) DPP4DPP8DPP9
SCHEMBL8258815 0.92 DPP4 (0.69) DPP4DPP8DPP9
SCHEMBL8258696 0.92 DPP4 (0.83) DPP4DPP8DPP9
SCHEMBL8254431 0.92 DPP4 (0.82) DPP4DPP8DPP9
SCHEMBL8260483 0.90 DPP4 (0.87) DPP4DPP8DPP9
SCHEMBL8257314 0.88 DPP4 (0.90) DPP4DPP8DPP9
SCHEMBL8260502 0.87 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL8258001 0.86 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8257940 0.86 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8257496 0.85 DPP4 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836206-B1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2011-03-09 EP disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed
WO-2006071752-A1 AZOLOPYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 WO disclosed