SCHEMBL9150311

SCHEMBL9150311

[CH2]Sc1ccn2ncnc2n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAP4K4 O95819 1/20 0.31

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
SCHEMBL5634310 0.71 PDE10A (0.45) PDE10AKDM4EALDH1A1MAP4K4
SCHEMBL9378584 0.67 KDM4E (0.42) PDE10AKDM4EALDH1A1MAP4K4
SCHEMBL9936182 0.67 PDE10A (0.46) PDE10AKDM4EALDH1A1MAP4K4
SCHEMBL13934564 0.67 PDE10A (0.41) PDE10AKDM4EALDH1A1MAP4K4
SCHEMBL22755250 0.67 PDE10A (0.41) PDE10AKDM4EALDH1A1MAP4K4
Hydrochloric Acid SCHEMBL31728514 0.66 PDE10A (0.40) PDE10AKDM4EALDH1A1MAP4K4
SCHEMBL22109267 0.61 KDM4E (0.38) PDE10AKDM4EALDH1A1
SCHEMBL8129636 0.61 KDM4E (0.44) PDE10AKDM4EALDH1A1
SCHEMBL16746131 0.55 IRAK4 (0.39) KDM4EALDH1A1MAP4K4
SCHEMBL1369725 0.53 NPC1 (0.37) PDE10AKDM4EALDH1A1MAP4K4

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
US-5439904-A Enzyme inhibitors of human leukocyte elastase; respiratory system disorders; antiarthritic agents SYNPHAR LABORATORIES, INC. (CA) 1995-08-08 US disclosed