SCHEMBL1408244

SCHEMBL1408244

Cc1nc2nc(C(=O)Nc3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1C(NC(=O)O)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.67
DPP8 Q6V1X1 1/20 0.67
CNR1 P21554 3/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL1407973 0.80 DPP4 (1.00) DPP4DPP8
SCHEMBL4482928 0.79 DPP4 (0.71) DPP4DPP8CNR1THRBTP53
SCHEMBL4482924 0.79 DPP4 (0.82) DPP4DPP8CNR1THRB
SCHEMBL1408245 0.79 DPP4 (0.75) DPP4DPP8CNR1THRBALDH1A1
SCHEMBL1408141 0.76 DPP4 (0.44) DPP4DPP8
SCHEMBL1408041 0.74 DPP4 (0.43) DPP4DPP8
SCHEMBL1408436 0.74 DPP4 (0.49) DPP4DPP8
SCHEMBL1408336 0.74 DPP4 (0.42) DPP4DPP8
SCHEMBL1408009 0.74 DPP4 (0.50) DPP4DPP8
SCHEMBL1408020 0.72 DPP4 (0.52) DPP4DPP8

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 1 patent. 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