SCHEMBL28876033

SCHEMBL28876033

N#CCC(=O)Nc1cccc(CNc2cc(Nc3ccccc3N3CCOCC3)ncn2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.65
▸ JAK1 P23458 12/20 0.65
▸ JAK2 O60674 11/20 0.65
▸ TYK2 P29597 3/20 0.65
▸ PIK3CB P42338 1/20 0.47
▸ LMNA P02545 1/20 0.45

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
SCHEMBL28876041 0.92 JAK3 (0.77) JAK3JAK1JAK2TYK2PIK3CB
SCHEMBL29813697 0.88 JAK3 (0.84) JAK3JAK1JAK2TYK2
SCHEMBL28876030 0.88 JAK3 (0.84) JAK3JAK1JAK2TYK2
SCHEMBL28876015 0.87 JAK3 (0.56) JAK3JAK1JAK2TYK2LMNA
Morpholine SCHEMBL28329001 0.82 JAK3 (0.66) JAK3JAK1JAK2TYK2
SCHEMBL28876037 0.79 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL29813592 0.79 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL28328997 0.78 JAK3 (0.56) JAK3JAK1JAK2TYK2PIK3CB
SCHEMBL28875985 0.77 JAK3 (0.58) JAK3JAK1JAK2TYK2LMNA
SCHEMBL29813539 0.76 JAK2 (0.71) JAK3JAK1JAK2TYK2

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
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