SCHEMBL31222017

SCHEMBL31222017

CNC(=O)CCN(Cc1ccc(C)o1)C(=O)c1sc2ccc(-c3cncc(OC)c3)cc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.37
PIK3CA P42336 7/20 0.37
PIK3CD O00329 1/20 0.36
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
DYRK1A Q13627 2/20 0.33
CDK7 P50613 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL31222059 0.87 PIK3CD (0.39) PIK3CGPIK3CAPIK3CDDYRK1ACDK7
SCHEMBL31221922 0.85 PIK3CG (0.36) PIK3CGPIK3CAPIK3CDPRMT5WDR77
SCHEMBL31222067 0.84 PIK3CD (0.37) PIK3CGPIK3CAPIK3CDCDK7ALDH1A1
SCHEMBL31221979 0.83 MAPKAPK2 (0.36) PIK3CGPIK3CAPIK3CDPRMT5WDR77
SCHEMBL31221945 0.83 PIK3CD (0.41) PIK3CGPIK3CAPIK3CDPRMT5WDR77
SCHEMBL31221942 0.81 PIK3CG (0.37) PIK3CGPIK3CAPIK3CDPRMT5WDR77
SCHEMBL31221974 0.81 CDK7 (0.43) PIK3CGPIK3CAPIK3CDPRMT5WDR77
SCHEMBL31221986 0.81 PKM (0.30) PKM
SCHEMBL31221928 0.81 GSK3B (0.45) DYRK1AALDH1A1HPGDHSD17B10GSK3B
SCHEMBL31221932 0.81 GSK3B (0.39) PIK3CGPIK3CAPIK3CDPRMT5WDR77

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-2024232599-A1 NOVEL BENZOTHIOPHENE DERIVATIVE INHIBITING BET PROTEIN AND COMPOSITION FOR TREATMENT OF CANCER, USING SAME 주식회사 베노바이오 2024-11-14 WO disclosed