SCHEMBL8259294

SCHEMBL8259294

Cc1nc2nc(C(=O)Nc3ccn(C)n3)cn2c(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 19/20 1.00
DPP9 Q86TI2 18/20 1.00

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
SCHEMBL12809866 0.89 DPP4 (0.80) DPP4DPP8DPP9
SCHEMBL8252803 0.87 DPP4 (0.77) DPP4DPP8DPP9
SCHEMBL8259038 0.85 DPP4 (0.75) DPP4DPP8DPP9
SCHEMBL8259136 0.85 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8254633 0.84 DPP4 (0.75) DPP4DPP8DPP9
SCHEMBL8260576 0.84 DPP4 (0.73) DPP4DPP8DPP9
SCHEMBL8259666 0.84 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8258935 0.84 DPP4 (0.76) DPP4DPP8DPP9
SCHEMBL8259088 0.83 DPP4 (0.74) DPP4DPP8DPP9
SCHEMBL8252801 0.83 DPP4 (0.76) 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