SCHEMBL25603500

SCHEMBL25603500

CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(N)n3)C2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.69
▸ LCK P06239 18/20 0.69
▸ BTK Q06187 4/20 0.69
▸ EGFR P00533 10/20 0.61

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
SCHEMBL21946880 0.91 JAK3 (0.70) JAK3LCKBTKEGFR
SCHEMBL25598953 0.91 JAK3 (0.70) JAK3LCKBTKEGFR
SCHEMBL21946311 0.87 JAK3 (0.77) JAK3LCKBTKEGFR
SCHEMBL21946322 0.86 JAK3 (0.76) JAK3LCKBTKEGFR
SCHEMBL21946752 0.84 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL21947699 0.83 JAK3 (0.61) JAK3LCKBTKEGFR
SCHEMBL16765130 0.82 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL25593701 0.82 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16765129 0.82 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL31039877 0.82 JAK3 (0.86) JAK3LCKBTKEGFR

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
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 — — WO disclosed
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