SCHEMBL9904168

SCHEMBL9904168

CN(c1nc2cc(NC(=O)c3c(C(=O)NCC4CC4)cnn3C)ccn2n1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.51

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
SCHEMBL9108326 0.90 PDE10A (0.46) PDE10A
SCHEMBL9104631 0.88 PDE10A (0.55) PDE10A
SCHEMBL9926279 0.86 PDE10A (0.67) PDE10A
SCHEMBL9108566 0.85 PDE10A (0.52) PDE10A
SCHEMBL9926280 0.84 PDE10A (0.63) PDE10A
SCHEMBL9904042 0.83 PDE10A (0.56) PDE10A
SCHEMBL9277270 0.83 PDE10A (0.55) PDE10A
SCHEMBL9926270 0.82 PDE10A (0.65) PDE10A
SCHEMBL9904177 0.80 PDE10A (0.57) PDE10A
SCHEMBL16145703 0.80 PDE10A (0.72) PDE10A

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-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP claimed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed