SCHEMBL1408041

SCHEMBL1408041

Cc1nc2nc(C#N)cn2c(-c2ccc(Cl)cc2Cl)c1C(NC(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.43
DPP8 Q6V1X1 18/20 0.43
DPP9 Q86TI2 17/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1408436 0.87 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL1408141 0.86 DPP4 (0.44) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1408336 0.86 DPP4 (0.42) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1408009 0.86 DPP4 (0.50) DPP4DPP8DPP9
SCHEMBL1408020 0.84 DPP4 (0.52) DPP4DPP8DPP9
SCHEMBL1407422 0.84 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL1408006 0.82 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL1408124 0.81 DPP4 (0.48) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1407900 0.81 DPP4 (0.42) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1408126 0.79 DPP4 (0.53) DPP4DPP8DPP9CYP1A2CYP3A4

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