SCHEMBL1407340

SCHEMBL1407340

Cc1nc2nc(-c3nnn[nH]3)cn2c(-c2ccc(Cl)cc2Cl)c1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
DPP8 Q6V1X1 19/20 0.48
DPP9 Q86TI2 17/20 0.48

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
SCHEMBL4472277 0.84 DPP4 (0.52) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL1407743 0.82 DPP4 (0.70) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL4472292 0.82 DPP4 (0.44) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL1408338 0.82 DPP4 (0.49) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL1408142 0.81 DPP4 (0.51) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL1408438 0.81 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL1408010 0.81 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL1408043 0.81 DPP4 (0.50) DPP4CYP1A2CYP3A4CYP2C19DPP8
SCHEMBL1408021 0.80 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL1407424 0.79 DPP4 (0.57) DPP4DPP8DPP9

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