SCHEMBL25604902

SCHEMBL25604902

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.60
▸ LCK P06239 12/20 0.60
▸ JAK3 P52333 17/20 0.58
▸ EGFR P00533 5/20 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 0.90 BTK (0.64) BTKLCKJAK3EGFR
SCHEMBL25605382 0.89 BTK (0.62) BTKLCKJAK3EGFR
SCHEMBL25604897 0.86 BTK (0.60) BTKLCKJAK3EGFR
SCHEMBL18884550 0.85 JAK3 (0.62) BTKLCKJAK3
SCHEMBL18884512 0.85 JAK3 (0.72) BTKLCKJAK3EGFR
SCHEMBL18884623 0.84 BTK (0.61) BTKLCKJAK3EGFR
SCHEMBL21855202 0.84 BTK (0.59) BTKLCKJAK3EGFR
SCHEMBL21946319 0.84 BTK (0.59) BTKLCKJAK3EGFR
SCHEMBL18296155 0.84 LCK (0.73) BTKLCKJAK3EGFR
SCHEMBL25605387 0.84 BTK (0.59) BTKLCKJAK3EGFR

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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