SCHEMBL17574484

SCHEMBL17574484

c1cnc2ncn3ncnc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.39
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
EGFR P00533 1/20 0.31
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAP4K4 O95819 1/20 0.30

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
SCHEMBL29648618 0.74 KDM4E (0.49) PDE10AMEN1ALDH1A1HTTKMT2A
SCHEMBL3594952 0.74 KDM4E (0.49) PDE10AMEN1ALDH1A1HTTKMT2A
SCHEMBL30945296 0.73 CLK1 (0.51) MEN1ALDH1A1HTTKMT2AEGFR
SCHEMBL17574483 0.72 MEN1 (0.38) MAOBPDE10AMEN1ALDH1A1HTT
SCHEMBL1460808 0.71 MAOB (0.42) MAOBPDE10AMEN1ALDH1A1HTT
SCHEMBL15644331 0.69 NUDT1 (0.35) MAOBPDE10AKMT2ALMNAKDM4E
SCHEMBL3402830 0.68 KDM4E (0.45) MAOBMEN1ALDH1A1HTTKMT2A
SCHEMBL29790801 0.67 HTR1A (0.43) MEN1KMT2AKDM4EMAPTEGFR
SCHEMBL14760387 0.67 KDM4E (0.45) MEN1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL21895406 0.67 IDO1 (0.40) LMNAKDM4EMAPTBRD4

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-3461825-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2023-06-07 EP claimed
US-9284335-B2 Substituted pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidines, pyrido[2,3-e][1,2,4]triazolo[1,5-c]pyrimidines and/or [1,2,4]triazolo[1,5-c]pteridines for treatment of central nervous system diseases and disorders DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2016-03-15 US disclosed