SCHEMBL3369809

SCHEMBL3369809

NCc1c(N)nc(-c2ccc3c(c2)OOO3)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.74
CYP3A4 P08684 1/20 0.68

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
SCHEMBL3368598 0.87 DPP4 (0.71) DPP4CYP3A4
SCHEMBL3369384 0.86 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3370661 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3368680 0.82 DPP4 (1.00) DPP4CYP3A4
SCHEMBL13334854 0.82 DPP4 (0.78) DPP4CYP3A4
SCHEMBL3367437 0.82 DPP4 (0.78) DPP4CYP3A4
SCHEMBL3369445 0.81 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3369226 0.81 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3369601 0.81 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3372212 0.80 DPP4 (0.78) DPP4CYP3A4

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-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP claimed