SCHEMBL31056157

SCHEMBL31056157

COC(=O)c1cc(Br)cc2nc(N(C)C)n(COCC[Si](C)(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.32
CSNK2A1 P68400 4/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CSNK2B P67870 2/20 0.31
HDAC1 Q13547 2/20 0.31
CSNK2A3 Q8NEV1 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 2/20 0.30
POLB P06746 1/20 0.30
OPRK1 P41145 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31056675 0.81 NPC1 (0.32) NPC1
SCHEMBL31056295 0.80 DGAT1 (0.31)
SCHEMBL25395444 0.77 TSHR (0.34) L3MBTL1OPRK1KDM4ETSHRHSD17B10
SCHEMBL29495175 0.77 TSHR (0.34) L3MBTL1OPRK1KDM4ETSHRHSD17B10
SCHEMBL31056181 0.77 MAPK1 (0.35) L3MBTL1MAPTOPRK1KDM4ETSHR
SCHEMBL31056317 0.76
SCHEMBL15917685 0.74 DGAT1 (0.35) L3MBTL1ALDH1A1MAPTOPRK1KDM4E
SCHEMBL30938860 0.74 PTGER4 (0.36) NPC1ALDH1A1MAPTPOLBKDM4E
SCHEMBL1592506 0.73 KMT2A (0.37) L3MBTL1ALDH1A1MAPTMEN1GAA
SCHEMBL1592509 0.73 KMT2A (0.37) L3MBTL1ALDH1A1MAPTMEN1GAA

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed