SCHEMBL30416836

SCHEMBL30416836

NC(=O)c1cnc(N2CC[C@@H](O)C2)nn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.43
▸ LCK P06239 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 2/20 0.37
▸ KIT P10721 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ STAT6 P42226 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ IKBKB O14920 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ACACB O00763 1/20 0.34
▸ SYK P43405 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL30415191 0.92 HDAC6 (0.44) AOC3HDAC6IKBKBHRH3
SCHEMBL30416847 0.77 ALDH1A1 (0.46) AOC3HDAC6
SCHEMBL14843867 0.75 HRH3 (0.55) LCKJAK3KITFLT3ABL1
SCHEMBL30165824 0.75 BTK (0.37) LCKJAK3BTKHRH3
SCHEMBL30416506 0.75 POLB (0.54) AOC3
SCHEMBL30416015 0.75 ALDH1A1 (0.42) AOC3HDAC6SYK
SCHEMBL30416389 0.75 KDM4E (0.48) HDAC6
SCHEMBL30416706 0.74 HDAC6 (0.53) AOC3LCKJAK3HDAC6IKBKB
SCHEMBL2790748 0.73 AOC3 (0.52) AOC3BTKABL1HDAC6DGAT1
SCHEMBL2791898 0.73 AOC3 (0.52) AOC3BTKABL1HDAC6DGAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598858-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-09-06 — — CN disclosed
CN-116143757-B Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-07-05 — — CN disclosed
CN-116143757-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2023-05-23 — — CN disclosed
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