SCHEMBL2044837

SCHEMBL2044837

Cc1nc2nc(C#Cc3nc(-c4ccccc4)cn3C)nn2c(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.52
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2038211 0.90 PDE10A (0.56) PDE10AKDM4EALDH1A1TP53MAPT
SCHEMBL2043214 0.83 PDE10A (0.50) PDE10AKDM4E
SCHEMBL2053605 0.80 PDE10A (0.58) PDE10A
SCHEMBL2036380 0.79 PDE10A (0.58) PDE10AKDM4EALDH1A1MAPTHPGD
SCHEMBL2037381 0.78 PDE10A (0.62) PDE10A
SCHEMBL2053542 0.77 PDE10A (0.59) PDE10A
SCHEMBL2037872 0.77 PDE10A (0.48) PDE10A
SCHEMBL2040973 0.75 PDE10A (0.57) PDE10A
SCHEMBL2040370 0.75 PDE10A (0.63) PDE10A
SCHEMBL2044926 0.75 PDE10A (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072695-A1 PHENYLIMIDAZOLE DERIVATIVES COMPRISING AN ETHYNYLENE LINKER AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO claimed
WO-2011072695-A1 PHENYLIMIDAZOLE DERIVATIVES COMPRISING AN ETHYNYLENE LINKER AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed