SCHEMBL8258593

SCHEMBL8258593

Cc1ccc(-c2c(CN)c(C)nc3nc(-c4ccccc4)cn23)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C19 P33261 1/20 0.70
DPP8 Q6V1X1 7/20 0.64
DPP9 Q86TI2 6/20 0.64

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
SCHEMBL8258920 0.83 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8256053 0.83 DPP4 (0.68) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8258393 0.79 DPP4 (0.63) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8258286 0.79 DPP4 (0.70) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8257967 0.78 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8260484 0.76 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8260496 0.75 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8258413 0.73 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL12809612 0.73 DPP4 (0.87) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL8260346 0.72 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2C19DPP8

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