SCHEMBL25605382

SCHEMBL25605382

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.62
▸ LCK P06239 8/20 0.62
▸ JAK3 P52333 13/20 0.61
▸ JAK2 O60674 1/20 0.57
▸ SYK P43405 2/20 0.54
▸ EGFR P00533 1/20 0.53

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
SCHEMBL18884637 0.93 BTK (0.64) BTKLCKJAK3SYKEGFR
SCHEMBL25604902 0.89 BTK (0.60) BTKLCKJAK3EGFR
SCHEMBL25604897 0.89 BTK (0.60) BTKLCKJAK3SYKEGFR
SCHEMBL18884550 0.88 JAK3 (0.62) BTKLCKJAK3SYK
SCHEMBL18884512 0.87 JAK3 (0.72) BTKLCKJAK3EGFR
SCHEMBL25606965 0.87 JAK3 (0.67) BTKLCKJAK3EGFR
SCHEMBL18884623 0.87 BTK (0.61) BTKLCKJAK3SYKEGFR
SCHEMBL21855202 0.87 BTK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL21946319 0.87 BTK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL18296155 0.87 LCK (0.73) BTKLCKJAK3SYKEGFR

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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