SCHEMBL8260399

SCHEMBL8260399

Cc1nc2nc(S(=O)(=O)N3CCC(C(N)=O)CC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.61
▸ DPP8 Q6V1X1 18/20 0.61
▸ DPP9 Q86TI2 17/20 0.61
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL8257945 0.88 DPP4 (0.67) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1407693 0.86 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL1407696 0.86 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL8260586 0.84 DPP4 (0.81) DPP4DPP8DPP9
SCHEMBL8260480 0.77 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL13605115 0.77 DPP4 (0.60) DPP4DPP8DPP9
SCHEMBL8259030 0.76 DPP4 (0.96) DPP4DPP8DPP9
SCHEMBL8254381 0.76 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL1407569 0.75 DPP4 (0.78) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1408219 0.75 DPP4 (0.78) 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 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
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