SCHEMBL22826263

SCHEMBL22826263

CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(I)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.53
▸ CKS1B P61024 1/20 0.53
▸ SKP1 P63208 1/20 0.53
▸ SKP2 Q13309 1/20 0.53
▸ MAP4K4 O95819 2/20 0.52
▸ JAK3 P52333 1/20 0.51
▸ BTK Q06187 1/20 0.51
▸ PDE10A Q9Y233 2/20 0.51
▸ RET P07949 3/20 0.47
▸ SUV39H2 Q9H5I1 5/20 0.47
▸ CTSK P43235 2/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46

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
SCHEMBL29517976 1.00 SYK (0.53) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL14196275 1.00 SYK (0.53) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL22454875 0.94 MAP4K4 (0.60) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL29518215 0.94 MAP4K4 (0.60) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL28667375 0.94 MAP4K4 (0.60) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL29518126 0.93 CKS1B (0.60) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL28666722 0.93 CKS1B (0.60) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL14196277 0.89 PDE10A (0.48) PDE10A
SCHEMBL529863 0.88 MAP4K4 (0.58) SYKCKS1BSKP1SKP2MAP4K4
SCHEMBL594137 0.88 MAP4K4 (0.58) SYKCKS1BSKP1SKP2MAP4K4

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
WO-2020253762-A1 INDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2020-12-24 — — WO disclosed
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