SCHEMBL31111573

SCHEMBL31111573

C[Si](C)(C)CCOCn1cc(Br)c(-c2ccncc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
MAPT P10636 1/20 0.33
MAPK14 Q16539 4/20 0.33
BRAF P15056 3/20 0.33
MAPK1 P28482 3/20 0.33
MAPK3 P27361 2/20 0.33
CSNK1D P48730 2/20 0.33
MAPK13 O15264 1/20 0.33
CSNK1E P49674 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAP4K4 O95819 1/20 0.32
EGFR P00533 1/20 0.32
FRK P42685 1/20 0.32
MAPK9 P45984 1/20 0.32
SLK Q9H2G2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE10A Q9Y233 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL26453168 0.88 DGAT1 (0.37) DGAT1MAPT
SCHEMBL19806627 0.87 DGAT1 (0.37) DGAT1MAPTCSNK1DMAP4K4EGFR
SCHEMBL19806313 0.87 DGAT1 (0.41) DGAT1MAPTMAPK14MAPK1CSNK1D
SCHEMBL2608746 0.85 ALDH1A1 (0.40) DGAT1MAPTMAPK1NPSR1CYP3A4
SCHEMBL31074565 0.84 MAPK14 (0.34) DGAT1MAPTMAPK14BRAFMAPK1
SCHEMBL29280467 0.80 BRAF (0.44) MAPK14BRAFMAPK1MAPK3CSNK1D
SCHEMBL19806359 0.79 DGAT1 (0.38) DGAT1MAPK14MAP4K4
SCHEMBL31074535 0.79 CYP11B1 (0.35) MAPTMAPK14BRAFCSNK1DMAPK13
SCHEMBL19806555 0.78 NPC1 (0.40) DGAT1MAPTMAPK14
SCHEMBL26684293 0.77 DGAT1 (0.40) DGAT1

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-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed