SCHEMBL25606965

SCHEMBL25606965

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCC(O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.67
▸ BTK Q06187 15/20 0.67
▸ LCK P06239 16/20 0.66
▸ EGFR P00533 10/20 0.66

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
SCHEMBL18884597 0.93 JAK3 (0.71) JAK3BTKLCKEGFR
SCHEMBL18884500 0.91 LCK (0.77) JAK3BTKLCKEGFR
SCHEMBL18884529 0.90 JAK3 (0.82) JAK3BTKLCKEGFR
SCHEMBL18884645 0.89 LCK (0.82) JAK3BTKLCKEGFR
SCHEMBL18884528 0.89 JAK3 (0.73) JAK3BTKLCKEGFR
SCHEMBL18884497 0.89 JAK3 (0.68) JAK3BTKLCKEGFR
SCHEMBL16802091 0.89 LCK (0.82) JAK3BTKLCKEGFR
SCHEMBL18884534 0.89 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL20867840 0.89 LCK (0.79) JAK3BTKLCKEGFR
SCHEMBL18884530 0.89 JAK3 (0.78) 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
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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