SCHEMBL28200511

SCHEMBL28200511

CN(C)c1ccc(C(=O)N[C@@H]2CCCN(c3cnc(NC=O)c(Nc4ccc(S(C)(=O)=O)cc4)n3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.63
▸ BTK Q06187 11/20 0.59
▸ LCK P06239 10/20 0.59
▸ EGFR P00533 5/20 0.59

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
SCHEMBL18283500 0.87 JAK3 (0.81) JAK3BTKLCKEGFR
SCHEMBL20540783 0.87 JAK3 (0.81) JAK3BTKLCKEGFR
SCHEMBL16763718 0.77 JAK3 (1.00) JAK3BTKLCKEGFR
SCHEMBL16763984 0.77 JAK3 (1.00) JAK3BTKLCKEGFR
SCHEMBL28323995 0.77 BTK (0.64) JAK3BTKLCKEGFR
SCHEMBL23081127 0.76 JAK3 (0.81) JAK3BTKLCKEGFR
SCHEMBL16764351 0.74 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL16764515 0.74 BTK (1.00) JAK3BTKLCKEGFR
SCHEMBL22346055 0.74 JAK3 (0.62) JAK3BTKLCKEGFR
SCHEMBL22346054 0.74 JAK3 (0.62) JAK3BTKLCKEGFR

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-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 — — CN disclosed
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