SCHEMBL28975303

SCHEMBL28975303

C=CC[C@@H](Cn1cc(I)c2c(N)ncnc21)OC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ PHKG2 P15735 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.54
▸ MARK3 P27448 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ CSNK1A1 P48729 1/20 0.54
▸ CSNK1D P48730 1/20 0.54
▸ CLK2 P49760 1/20 0.54
▸ IRAK1 P51617 1/20 0.54
▸ CSNK1G2 P78368 1/20 0.54
▸ MAP4K2 Q12851 1/20 0.54
▸ ROCK1 Q13464 1/20 0.54
▸ CAMK2G Q13555 1/20 0.54
▸ CAMK2D Q13557 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ MELK Q14680 1/20 0.54

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
SCHEMBL28975304 1.00 DYRK3 (0.54) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL19991474 0.86 FLT3 (0.55) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL30241201 0.77 FLT3 (0.47) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL28975300 0.77 FLT3 (0.47) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL21378160 0.75 DYRK3 (0.55) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL15486796 0.75 DYRK3 (0.55) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL28996610 0.74 DYRK3 (0.49) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL28737043 0.74 DYRK3 (0.41) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL28737044 0.74 DYRK3 (0.41) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL23885307 0.73 DYRK3 (0.58) DYRK3ROCK2PRKD3MAP4K4PHKG2

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-115707704-A Deuterated fused tricyclic compound, and composition and application thereof 中山医诺维申新药研发有限公司 2023-02-21 — — CN disclosed
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