SCHEMBL28876016

SCHEMBL28876016

CC=CC(=O)Nc1ccc(-c2cc(Nc3ccccc3N3CCOCC3)ncn2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.76
JAK1 P23458 15/20 0.76
JAK2 O60674 10/20 0.76
TYK2 P29597 1/20 0.48
MOK Q9UQ07 1/20 0.44
FLT3 P36888 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL28875991 0.91 JAK3 (0.77) JAK3JAK1JAK2TYK2
SCHEMBL28876026 0.89 JAK3 (0.75) JAK3JAK1JAK2TYK2FLT3
SCHEMBL28876008 0.86 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL29813733 0.86 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL28875987 0.82 JAK2 (0.76) JAK3JAK1JAK2TYK2FLT3
SCHEMBL28875996 0.81 JAK3 (0.76) JAK3JAK1JAK2TYK2
SCHEMBL28875984 0.80 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL29813629 0.80 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL28876022 0.75 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL29813623 0.75 JAK3 (1.00) 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