SCHEMBL8258731

SCHEMBL8258731

COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1

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 5/20 1.00
CYP3A4 P08684 2/20 0.58
DPP9 Q86TI2 2/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL12809775 0.91 DPP4 (0.84) DPP4DPP8CYP3A4DPP9CYP2C9
SCHEMBL13604976 0.87 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C9
SCHEMBL13604978 0.82 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C9
SCHEMBL8257499 0.81 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C9
SCHEMBL13604975 0.77 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C9
SCHEMBL1408016 0.77 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8258403 0.75 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C9
SCHEMBL8252526 0.75 DPP4 (0.77) DPP4DPP8DPP9
SCHEMBL13604979 0.74 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C9
SCHEMBL1407794 0.74 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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