SCHEMBL29599153

SCHEMBL29599153

CC1(C)C(=O)N(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DGAT1 O75907 2/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL15882795 1.00 FFAR1 (0.31) FFAR1GSK3AGSK3BDGAT1PDGFRB
SCHEMBL18403356 0.88 PDGFRB (0.32) FFAR1GSK3AGSK3BDGAT1PDGFRB
SCHEMBL15882578 0.81 DGAT1 (0.32) DGAT1
SCHEMBL21463280 0.78
SCHEMBL3514989 0.75 FFAR1 (0.35) FFAR1GSK3AGSK3BDGAT1PDGFRB
SCHEMBL16283528 0.74 BACE1 (0.35) PRMT5WDR77
SCHEMBL16277514 0.74 BACE1 (0.35) PRMT5WDR77
SCHEMBL25316750 0.72 NPC1 (0.35)
SCHEMBL30506908 0.72 NPC1 (0.35)
SCHEMBL31085612 0.72 MARK3 (0.39) 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
EP-3268373-B1 TRICYCLIC DLK INHIBITORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed