SCHEMBL31280972

SCHEMBL31280972

C[Si](C)(C)C#Cc1ccc(Nc2cccnc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.41
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL31281100 0.81 KIF11 (0.41) GRM5KIF11KDM4EALDH1A1SMN1; SMN2
SCHEMBL29425391 0.77 KIF11 (0.46) GRM5KIF11KDM4EALDH1A1SMN1; SMN2
SCHEMBL31281215 0.77 NUDT1 (0.34)
SCHEMBL30564957 0.75 NUDT1 (0.38) GRM5
SCHEMBL25380637 0.75 NUDT1 (0.38) GRM5
SCHEMBL484469 0.74 APP (0.33) GRM5
SCHEMBL25379469 0.72 NUDT1 (0.36)
SCHEMBL1477690 0.69 GRM5 (0.43) GRM5
SCHEMBL2922495 0.69 CYP2A6 (0.55) GRM5
SCHEMBL30694380 0.69 CYP2A6 (0.55) GRM5

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
CN-119137130-A Inhibitors of MEK kinase 金耐特生物制药公司 2024-12-13 CN disclosed