SCHEMBL28876010

SCHEMBL28876010

N#CCC(=O)Nc1cccc(CNc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.71
▸ JAK3 P52333 11/20 0.71
▸ JAK1 P23458 10/20 0.71
▸ PLK4 O00444 2/20 0.65
▸ TYK2 P29597 4/20 0.63
▸ TTK P33981 1/20 0.56
▸ EGFR P00533 1/20 0.55
▸ CSF1R P07333 1/20 0.52
▸ ULK2 Q8IYT8 1/20 0.52
▸ TBK1 Q9UHD2 1/20 0.52
▸ AURKA O14965 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ STAT6 P42226 1/20 0.50

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
SCHEMBL29813539 1.00 JAK2 (0.71) JAK2JAK3JAK1PLK4TYK2
SCHEMBL28875981 0.91 JAK3 (0.72) JAK2JAK3JAK1PLK4TYK2
SCHEMBL29813737 0.91 JAK3 (0.72) JAK2JAK3JAK1PLK4TYK2
SCHEMBL13859449 0.89 JAK3 (0.77) JAK2JAK3JAK1PLK4TYK2
SCHEMBL28876015 0.88 JAK3 (0.56) JAK2JAK3JAK1PLK4TYK2
Morpholine SCHEMBL28328992 0.86 JAK3 (0.53) JAK2JAK3JAK1PLK4TYK2
SCHEMBL29813697 0.86 JAK3 (0.84) JAK2JAK3JAK1TYK2
SCHEMBL28876030 0.86 JAK3 (0.84) JAK2JAK3JAK1TYK2
SCHEMBL30051906 0.83 JAK2 (1.00) JAK2JAK3JAK1PLK4TYK2
SCHEMBL3622218 0.83 JAK2 (1.00) JAK2JAK3JAK1PLK4TYK2

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