SCHEMBL8260484

SCHEMBL8260484

Cc1nc2nc(-c3ccc(Cl)cc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 15/20 1.00
DPP9 Q86TI2 13/20 1.00
CYP1A2 P05177 1/20 0.88
CYP3A4 P08684 1/20 0.88
CYP2C19 P33261 1/20 0.88

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
SCHEMBL8257967 0.96 DPP4 (1.00) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL8258920 0.94 DPP4 (1.00) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL8256359 0.92 DPP4 (1.00) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL8260496 0.90 DPP4 (1.00) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL12809612 0.88 DPP4 (0.87) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL8254532 0.87 DPP4 (1.00) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL8259483 0.85 DPP4 (1.00) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1407755 0.85 DPP4 (0.74) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1408068 0.83 DPP4 (0.71) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1408185 0.83 DPP4 (0.71) DPP4DPP8DPP9CYP1A2CYP3A4

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