SCHEMBL28876015

SCHEMBL28876015

N#CCC(=O)Nc1cccc(CNc2ccnc(Nc3ccccc3N3CCOCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.56
▸ JAK2 O60674 8/20 0.56
▸ JAK1 P23458 7/20 0.56
▸ PLK4 O00444 1/20 0.51
▸ TYK2 P29597 4/20 0.51
▸ CSF1R P07333 2/20 0.48
▸ ULK2 Q8IYT8 1/20 0.48
▸ TBK1 Q9UHD2 1/20 0.48
▸ TTK P33981 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ MAPK8 P45983 1/20 0.42

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
SCHEMBL28875985 0.91 JAK3 (0.58) JAK3JAK2JAK1PLK4TYK2
SCHEMBL29813539 0.88 JAK2 (0.71) JAK3JAK2JAK1PLK4TYK2
SCHEMBL28876010 0.88 JAK2 (0.71) JAK3JAK2JAK1PLK4TYK2
SCHEMBL28876033 0.87 JAK3 (0.65) JAK3JAK2JAK1TYK2LMNA
Morpholine SCHEMBL28328992 0.83 JAK3 (0.53) JAK3JAK2JAK1PLK4TYK2
SCHEMBL29813737 0.79 JAK3 (0.72) JAK3JAK2JAK1PLK4TYK2
SCHEMBL28875981 0.79 JAK3 (0.72) JAK3JAK2JAK1PLK4TYK2
SCHEMBL28876041 0.79 JAK3 (0.77) JAK3JAK2JAK1TYK2LMNA
SCHEMBL28328991 0.78 JAK3 (0.48) JAK3JAK2JAK1PLK4TYK2
SCHEMBL13859449 0.77 JAK3 (0.77) JAK3JAK2JAK1PLK4TYK2

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-110330484-B Substituted phenyl pyrimidine derivative as JAK kinase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2022-08-26 — — CN disclosed
Send feedback