SCHEMBL9904177

SCHEMBL9904177

Cn1ncc(C(=O)NCC2CC2)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.57
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL9904042 0.92 PDE10A (0.56) PDE10AAAK1
SCHEMBL9108157 0.86 PDE10A (0.62) PDE10A
SCHEMBL9118417 0.84 PDE10A (0.58) PDE10A
SCHEMBL9904287 0.84 PDE10A (0.79) PDE10A
SCHEMBL9108410 0.83 PDE10A (0.67) PDE10A
SCHEMBL9105505 0.83 PDE10A (0.78) PDE10A
SCHEMBL9108872 0.83 PDE10A (0.78) PDE10A
SCHEMBL9904272 0.83 PDE10A (0.45) PDE10A
SCHEMBL9107790 0.83 PDE10A (0.65) PDE10A
SCHEMBL9107261 0.81 PDE10A (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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