SCHEMBL25867225

SCHEMBL25867225

COc1cc2nc(NC3CCCC3)nc(NCc3ccc(Cl)c(Cl)c3)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.63
BCHE P06276 4/20 0.61
ACHE P22303 4/20 0.61
APP P05067 3/20 0.61
AURKA O14965 1/20 0.58
DAPK3 O43293 1/20 0.58
JAK2 O60674 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
PAK4 O96013 1/20 0.58
ABL1 P00519 1/20 0.58
NTRK1 P04629 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
CSF1R P07333 1/20 0.58
RET P07949 1/20 0.58
MET P08581 1/20 0.58
PDGFRB P09619 1/20 0.58
PIM1 P11309 1/20 0.58
FGFR1 P11362 1/20 0.58

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
SCHEMBL25309780 0.83 APP (0.67) BCHEACHEAPPAURKADAPK3
SCHEMBL25867149 0.82 APP (0.66) BCHEACHEAPPAURKADAPK3
SCHEMBL25867340 0.74 APP (0.64) BCHEACHEAPPAURKADAPK3
SCHEMBL3292645 0.74 APP (0.62) CCR4BCHEACHEAPP
SCHEMBL25867456 0.73 APP (0.62) BCHEACHEAPPAURKADAPK3
SCHEMBL12175849 0.71 EGFR (0.68) BCHEACHEAPPLCKEHMT2
SCHEMBL25867224 0.71 BCHE (0.61) BCHEACHEAPPMCHR1
SCHEMBL22161890 0.71 MCHR1 (0.41) BCHEACHEAPPAURKADAPK3
SCHEMBL17122602 0.70 EHMT2 (0.76) CCR4EHMT2EHMT1NSD2
SCHEMBL15280231 0.70 EHMT2 (0.76) CCR4EHMT2EHMT1NSD2

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