SCHEMBL7908353

SCHEMBL7908353

Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(Cl)c3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.68
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.44
NR3C2 P08235 1/20 0.43
NOTUM Q6P988 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK14 Q16539 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 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
SCHEMBL2749209 0.93 PDE10A (0.77) PDE10AKDM4EPOLBNR3C2NOTUM
SCHEMBL14315130 0.90 PDE10A (0.62) PDE10APOLBPKMALDH1A1CYP1A2
SCHEMBL2505485 0.89 PDE10A (0.70) PDE10AKDM4EPOLBNR3C2NOTUM
SCHEMBL518641 0.89 PDE10A (0.70) PDE10AKDM4EPOLBNR3C2NOTUM
SCHEMBL7911489 0.88 PDE10A (0.58) PDE10AKDM4ENR3C2ALDH1A1MAPK14
SCHEMBL2750293 0.87 PDE10A (0.72) PDE10AKDM4EPOLBNR3C2NOTUM
SCHEMBL3503982 0.86 PDE10A (0.68) PDE10AKDM4EPOLBNR3C2NOTUM
SCHEMBL3503172 0.86 PDE10A (0.70) PDE10AKDM4EPOLBNR3C2NOTUM
SCHEMBL7906405 0.85 PDE10A (0.54) PDE10ANR3C2PKMALDH1A1HTT
SCHEMBL3506101 0.84 PDE10A (0.66) PDE10AKDM4EPOLBNR3C2NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed