SCHEMBL25603497

SCHEMBL25603497

CN1CCN([C@@H]2CCCN(c3cnc(C#N)c(Nc4ccc(C5CCC6(CC5)CN(C(=O)OC(C)(C)C)C6)cc4)n3)C2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.62
▸ LCK P06239 17/20 0.62
▸ BTK Q06187 5/20 0.62
▸ EGFR P00533 9/20 0.55

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
SCHEMBL29931224 0.93 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL21946793 0.93 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL21855409 0.93 JAK3 (0.65) JAK3LCKBTKEGFR
SCHEMBL21946352 0.92 JAK3 (0.63) JAK3LCKBTKEGFR
SCHEMBL30011108 0.90 JAK3 (0.61) JAK3LCKBTKEGFR
SCHEMBL25606266 0.90 JAK3 (0.61) JAK3LCKBTKEGFR
SCHEMBL25606470 0.89 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL21946802 0.88 JAK3 (0.60) JAK3LCKBTKEGFR
SCHEMBL30011366 0.88 JAK3 (0.60) JAK3LCKBTKEGFR
SCHEMBL21855211 0.88 JAK3 (0.66) 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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