SCHEMBL8258283

SCHEMBL8258283

Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc(F)cc2F)c1CN

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
DPP8 Q6V1X1 6/20 0.59
DPP9 Q86TI2 5/20 0.59
THRB P10828 2/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8256222 0.89 DPP4 (0.67) DPP4CYP3A4CYP2C9CYP2C19DPP8
SCHEMBL8258286 0.82 DPP4 (0.70) DPP4CYP3A4CYP2C9CYP2C19DPP8
SCHEMBL1407793 0.80 DPP4 (1.00) DPP4CYP3A4CYP2C9CYP2C19DPP8
SCHEMBL8256053 0.80 DPP4 (0.68) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL8254534 0.74 DPP4 (1.00) DPP4CYP3A4CYP2C9CYP2C19DPP8
SCHEMBL10174792 0.74 NR1I2 (0.65) DPP4CYP3A4CYP2C9CYP2C19THRB
SCHEMBL8256348 0.73 DPP4 (1.00) DPP4CYP3A4CYP2C9CYP2C19DPP8
SCHEMBL8256321 0.73 DPP4 (1.00) DPP4CYP3A4CYP2C9CYP2C19DPP8
SCHEMBL12809486 0.72 DPP4 (0.69) DPP4CYP3A4CYP2C9CYP2C19DPP8
SCHEMBL8256363 0.72 DPP4 (1.00) DPP4CYP3A4CYP2C9CYP2C19DPP8

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