SCHEMBL2145154

SCHEMBL2145154

Nc1onc2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
BACE1 P56817 2/20 0.41
PDPK1 O15530 1/20 0.40
JAK2 O60674 1/20 0.40
PABPC1 P11940 1/20 0.40
ADORA2A P29274 1/20 0.40
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2A Q12879 5/20 0.39
ADRB2 P07550 1/20 0.38
TYMS P04818 1/20 0.38
IDO1 P14902 1/20 0.38
CHEK1 O14757 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
SCHEMBL2144895 0.84 BACE1 (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL21596925 0.76 DYRK1A (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL21596926 0.72 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL7369313 0.72 MAP4K4 (0.40) ADORA2AIDO1DYRK1A
SCHEMBL25171022 0.71 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4019162 0.71 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1013979 0.70 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3846806 0.68 MEN1 (0.67) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL21596922 0.68 KMT2A (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL21596941 0.68 NPC1 (0.48) KDM4ERAB9APIM1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed