SCHEMBL31222067

SCHEMBL31222067

CNC(=O)CCN(Cc1ccccn1)C(=O)c1sc2ccc(-c3cncc(OC)c3)cc2c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
PIK3CG P48736 9/20 0.37
KDM4E B2RXH2 1/20 0.37
PIK3CA P42336 7/20 0.36
TSHR P16473 1/20 0.36
CDK7 P50613 1/20 0.35
SYK P43405 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.33

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 0.89 PIK3CD (0.39) PIK3CDPIK3CGPIK3CACDK7MAPT
SCHEMBL31221945 0.88 PIK3CD (0.41) PIK3CDPIK3CGPIK3CACDK7
SCHEMBL31221922 0.84 PIK3CG (0.36) PIK3CDPIK3CGPIK3CACDK7
SCHEMBL31222017 0.84 PIK3CG (0.37) PIK3CDPIK3CGKDM4EPIK3CATSHR
SCHEMBL31221974 0.84 CDK7 (0.43) PIK3CDPIK3CGPIK3CACDK7
SCHEMBL31221979 0.83 MAPKAPK2 (0.36) PIK3CDPIK3CGPIK3CAMAPT
SCHEMBL31222063 0.82 CREBBP (0.40) KDM4ETSHRSYKALDH1A1MEN1
SCHEMBL31221942 0.81 PIK3CG (0.37) PIK3CDPIK3CGPIK3CA
SCHEMBL31221932 0.80 GSK3B (0.39) PIK3CDPIK3CGPIK3CAALDH1A1
SCHEMBL31221928 0.79 GSK3B (0.45) KDM4EALDH1A1MAPT

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