SCHEMBL25606431

SCHEMBL25606431

CN1CCC2(CCC(c3ccc(Nc4nc(N5CCC[C@@H](N6CCN(C)C6=O)C5)cnc4C(N)=O)cc3)CC2)CC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.81
▸ LCK P06239 18/20 0.81
▸ EGFR P00533 10/20 0.80
▸ BTK Q06187 6/20 0.80

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
SCHEMBL25606430 0.94 JAK3 (0.86) JAK3LCKEGFRBTK
SCHEMBL25606718 0.93 JAK3 (0.79) JAK3LCKEGFRBTK
SCHEMBL25603844 0.93 JAK3 (0.88) JAK3LCKEGFRBTK
SCHEMBL25607907 0.93 JAK3 (0.88) JAK3LCKEGFRBTK
SCHEMBL25603499 0.93 JAK3 (0.82) JAK3LCKEGFRBTK
SCHEMBL20867721 0.92 JAK3 (0.89) JAK3LCKEGFRBTK
SCHEMBL24891001 0.92 JAK3 (0.88) JAK3LCKEGFRBTK
SCHEMBL18287665 0.90 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL25605493 0.89 JAK3 (0.87) JAK3LCKEGFRBTK
SCHEMBL25605762 0.89 JAK3 (0.84) JAK3LCKEGFRBTK

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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