SCHEMBL28876005

SCHEMBL28876005

CC=CC(=O)Nc1cccc(-c2ccnc(Nc3ccc(C4CNCCO4)cc3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.64
JAK3 P52333 3/20 0.64
TYK2 P29597 2/20 0.64
JAK1 P23458 2/20 0.51
PLK1 P53350 1/20 0.49
SLC6A3 Q01959 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL28875983 0.91 JAK2 (0.62) JAK2JAK3TYK2JAK1SLC6A3
SCHEMBL28876012 0.90 JAK3 (0.63) JAK2JAK3TYK2JAK1PLK1
SCHEMBL28875988 0.85 JAK3 (0.64) JAK2JAK3JAK1
SCHEMBL28394049 0.85 EGFR (0.50) JAK2JAK3TYK2
SCHEMBL28387822 0.85 EGFR (0.50) JAK2JAK3TYK2
SCHEMBL28382434 0.82
SCHEMBL28383505 0.82
SCHEMBL28875995 0.81 JAK2 (0.61) JAK2JAK3TYK2JAK1SLC6A3
SCHEMBL28875975 0.78 JAK2 (1.00) JAK2JAK3TYK2JAK1
SCHEMBL29813581 0.78 JAK2 (1.00) JAK2JAK3TYK2JAK1

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