SCHEMBL31355217

SCHEMBL31355217

CC(C)(C)C(=O)OCn1ccc2c(-c3cnn(/C(=C/C#N)C4CCCC4)c3)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.33
▸ JAK1 P23458 10/20 0.33
▸ JAK3 P52333 3/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ DAPK3 O43293 2/20 0.30
▸ PAK4 O96013 2/20 0.30
▸ ABL1 P00519 2/20 0.30
▸ RET P07949 2/20 0.30
▸ LTK P29376 2/20 0.30
▸ CSNK1A1 P48729 2/20 0.30
▸ CLK2 P49760 2/20 0.30
▸ TNK2 Q07912 2/20 0.30
▸ ROCK1 Q13464 2/20 0.30
▸ DYRK1A Q13627 2/20 0.30
▸ IKBKE Q14164 2/20 0.30
▸ NTRK3 Q16288 2/20 0.30
▸ NTRK2 Q16620 2/20 0.30
▸ LRRK2 Q5S007 2/20 0.30
▸ TAOK1 Q7L7X3 2/20 0.30
▸ CAMK1D Q8IU85 2/20 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
SCHEMBL13243623 1.00 JAK2 (0.33) JAK2JAK1JAK3TYK2DAPK3
SCHEMBL13243667 1.00 JAK2 (0.33) JAK2JAK1JAK3TYK2DAPK3
SCHEMBL3006800 0.89 JAK2 (0.32) JAK2JAK1
SCHEMBL3006804 0.89 JAK2 (0.32) JAK2JAK1
SCHEMBL3006796 0.89 JAK2 (0.32) JAK2JAK1
SCHEMBL19790095 0.86 JAK2 (0.32) JAK2JAK1JAK3TYK2DAPK3
SCHEMBL19928587 0.86 JAK2 (0.31) JAK2JAK1
SCHEMBL99791 0.84 JAK2 (0.31) JAK2JAK1JAK3TYK2DAPK3
SCHEMBL99792 0.84 JAK2 (0.31) JAK2JAK1JAK3TYK2DAPK3
SCHEMBL16980125 0.83 JAK2 (0.30) JAK2JAK1JAK3TYK2DAPK3

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-119613412-A Method for synthesizing ruxotinib intermediate through asymmetric hydrogenation 深圳格林凯特医药技术有限公司 2025-03-14 — — CN disclosed
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