SCHEMBL25867300

SCHEMBL25867300

CNc1nc(NCc2ccc(Cl)c(Cl)c2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.71
ACHE P22303 7/20 0.71
USP1 O94782 1/20 0.61
WDR48 Q8TAF3 1/20 0.61
CTNNB1 P35222 9/20 0.59
TCF7L2 Q9NQB0 9/20 0.59
RAD52 P43351 1/20 0.58
APP P05067 4/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
UBE2N P61088 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RCE1 Q9Y256 1/20 0.57

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
SCHEMBL2588892 0.90 RAD52 (0.74) BCHEACHEUSP1WDR48RAD52
SCHEMBL25306105 0.84 APP (0.74) USP1WDR48RAD52APPKDM4E
SCHEMBL16280669 0.84 ACHE (1.00) BCHEACHERAD52APPKDM4E
SCHEMBL25309780 0.82 APP (0.67) BCHEACHEUSP1WDR48CTNNB1
SCHEMBL4864026 0.81 PDE5A (0.74) USP1WDR48ALDH1A1LMNAMAPT
SCHEMBL25867149 0.81 APP (0.66) BCHEACHEUSP1WDR48CTNNB1
SCHEMBL12176129 0.79 SLC2A1 (0.73) BCHEACHERAD52APPKDM4E
SCHEMBL12175974 0.79 RAD52 (0.64) BCHEACHEUSP1WDR48RAD52
SCHEMBL2256496 0.79 ACHE (0.78) BCHEACHECTNNB1TCF7L2RAD52
SCHEMBL3117720 0.79 BCHE (0.78) BCHEACHEUSP1WDR48CTNNB1

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