SCHEMBL30924829

SCHEMBL30924829

Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1N1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.76
▸ INSR P06213 13/20 0.70
▸ KCNH2 Q12809 4/20 0.70
▸ PLK4 O00444 1/20 0.67
▸ BUB1B O60566 1/20 0.67
▸ JAK2 O60674 1/20 0.67
▸ ROCK2 O75116 1/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ EGFR P00533 1/20 0.67
▸ NTRK1 P04629 1/20 0.67
▸ LCK P06239 1/20 0.67
▸ NPM1 P06748 1/20 0.67
▸ FES P07332 1/20 0.67
▸ LYN P07948 1/20 0.67
▸ RET P07949 1/20 0.67
▸ IGF1R P08069 1/20 0.67
▸ ABCB1 P08183 1/20 0.67
▸ MET P08581 1/20 0.67
▸ ROS1 P08922 1/20 0.67
▸ FGR P09769 1/20 0.67

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
SCHEMBL30459769 0.92 ALK (0.89) ALKINSRKCNH2PLK4BUB1B
SCHEMBL14780839 0.92 ALK (0.73) ALKINSRKCNH2PLK4BUB1B
SCHEMBL30459649 0.90 ALK (0.75) ALKINSRKCNH2PLK4BUB1B
SCHEMBL30459638 0.87 ALK (0.80) ALKINSRKCNH2PLK4BUB1B
SCHEMBL19826113 0.86 ALK (0.69) ALKINSRKCNH2PLK4BUB1B
SCHEMBL19826092 0.86 ALK (0.69) ALKINSRKCNH2PLK4BUB1B
SCHEMBL18843554 0.85 ALK (1.00) ALKINSRKCNH2PLK4BUB1B
SCHEMBL19826271 0.85 ALK (0.68) ALKINSRKCNH2PLK4BUB1B
SCHEMBL12224983 0.84 ALK (0.86) ALKINSRKCNH2PLK4BUB1B
SCHEMBL19826119 0.84 ALK (0.64) ALKINSRKCNH2PLK4BUB1B

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-118126307-A Preparation and application of novel PROTAC type self-assembled nano material 四川大学 2024-06-04 — — CN disclosed
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