SCHEMBL28876013

SCHEMBL28876013

CC=CC(=O)Nc1ccc(-c2cc(Nc3ccc(C4CNCCO4)cc3)ncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.62
JAK3 P52333 4/20 0.62
JAK2 O60674 3/20 0.62

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
SCHEMBL28875988 0.92 JAK3 (0.64) JAK1JAK3JAK2
SCHEMBL28876023 0.90 JAK1 (0.61) JAK1JAK3JAK2
SCHEMBL28875983 0.83 JAK2 (0.62) JAK1JAK3JAK2
SCHEMBL28875993 0.81 JAK3 (0.63) JAK1JAK3JAK2
SCHEMBL28876008 0.77 JAK3 (1.00) JAK1JAK3JAK2
SCHEMBL29813733 0.77 JAK3 (1.00) JAK1JAK3JAK2
SCHEMBL28876005 0.76 JAK2 (0.64) JAK1JAK3JAK2
SCHEMBL581985 0.75
SCHEMBL12610070 0.73
SCHEMBL12610072 0.73

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