SCHEMBL25867222

SCHEMBL25867222

Clc1cc(Cl)cc(CNc2nc(NC3CCCC3)nc3ccccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.70
BCHE P06276 6/20 0.70
ACHE P22303 6/20 0.70
NPY5R Q15761 1/20 0.57
CTNNB1 P35222 4/20 0.56
TCF7L2 Q9NQB0 4/20 0.56
AURKA O14965 1/20 0.55
DAPK3 O43293 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
MET P08581 1/20 0.55
PDGFRB P09619 1/20 0.55

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
SCHEMBL14256526 0.92 APP (0.58) APPBCHEACHENPY5RRAD52
SCHEMBL25309780 0.87 APP (0.67) APPBCHEACHENPY5RCTNNB1
SCHEMBL25867340 0.86 APP (0.64) APPBCHEACHENPY5RCTNNB1
SCHEMBL25867149 0.86 APP (0.66) APPBCHEACHENPY5RCTNNB1
SCHEMBL14266651 0.85 APP (0.53) APPBCHEACHENPY5RNTRK1
SCHEMBL14256550 0.83 APP (0.61) APPBCHEACHENPY5RAURKA
SCHEMBL25867456 0.83 APP (0.62) APPBCHEACHENPY5RCTNNB1
SCHEMBL30896249 0.82 APP (0.60) APPBCHEACHENPY5RAURKA
SCHEMBL27224018 0.82 APP (0.60) APPBCHEACHENPY5RAURKA
SCHEMBL25867223 0.82 APP (0.71) APPBCHEACHENPY5RCTNNB1

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
WO-2023133221-A2 SMARCA2/4 INHIBITION AS A STRATEGY TO TREAT TUMORS THAT HARBOR ABERRANT BAF ASSEMBLIES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-13 WO disclosed