SCHEMBL25593701

SCHEMBL25593701

CN1CCN([C@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccccc4)n3)C2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 1.00
▸ LCK P06239 18/20 1.00
▸ BTK Q06187 4/20 1.00
▸ EGFR P00533 10/20 0.77

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
SCHEMBL16765129 1.00 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16765130 1.00 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL31039877 0.92 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL21855159 0.92 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL28642729 0.92 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL21855218 0.92 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL21947754 0.92 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL21946330 0.92 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL32670362 0.92 JAK3 (0.86) JAK3LCKBTKEGFR
SCHEMBL28642920 0.92 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
Send feedback