SCHEMBL9904272

SCHEMBL9904272

COc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)NCC4CC4)cnn3C)ccn2n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.45
PTK2 Q05397 1/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK14 Q16539 2/20 0.37

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 0.87 PDE10A (0.56) PDE10AMAPK14
SCHEMBL9104339 0.86 PDE10A (0.56) PDE10A
SCHEMBL9904424 0.85 PDE10A (0.60) PDE10A
SCHEMBL9107517 0.84 PDE10A (0.47) PDE10A
SCHEMBL9926258 0.84 PDE10A (0.56) PDE10A
SCHEMBL9105822 0.84 PDE10A (0.59) PDE10A
SCHEMBL9926239 0.83 PDE10A (0.59) PDE10A
SCHEMBL9904177 0.83 PDE10A (0.57) PDE10A
SCHEMBL9105607 0.82 PDE10A (0.61) PDE10A
SCHEMBL9926271 0.82 PDE10A (0.50) 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