SCHEMBL8256325

SCHEMBL8256325

COc1ccc(-c2cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)n3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP8 Q6V1X1 11/20 1.00
DPP9 Q86TI2 9/20 1.00
CYP3A4 P08684 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8256348 0.92 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL8256363 0.90 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL1407793 0.88 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL8254534 0.86 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL8256321 0.84 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL8252766 0.83 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL8260568 0.82 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL8257973 0.82 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9
SCHEMBL8256359 0.81 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C19
SCHEMBL8259173 0.79 DPP4 (1.00) DPP4DPP8DPP9CYP3A4CYP2C9

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