SCHEMBL9926272

SCHEMBL9926272

CNC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(I)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.47
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9926282 0.86 PDE10A (0.61) PDE10A
SCHEMBL9904136 0.84 PDE10A (0.63) PDE10AALDH1A1MAPTHPGD
SCHEMBL9926295 0.81 PDE10A (0.53) PDE10A
SCHEMBL9106457 0.78 PDE10A (0.57) PDE10A
SCHEMBL9106529 0.78 PDE10A (0.61) PDE10A
SCHEMBL9107492 0.78 PDE10A (0.52) PDE10AALDH1A1MAPTHPGD
SCHEMBL9107651 0.78 PDE10A (0.64) PDE10A
SCHEMBL9105538 0.77 PDE10A (0.63) PDE10A
SCHEMBL9107086 0.77 PDE10A (0.78) PDE10A
SCHEMBL9904256 0.76 PDE10A (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed