SCHEMBL25593539

SCHEMBL25593539

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc2c(c1)CNC2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.49
▸ LCK P06239 11/20 0.49
▸ JAK3 P52333 13/20 0.48
▸ EGFR P00533 7/20 0.47

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
SCHEMBL25595883 0.92 SYK (0.50) BTKLCKJAK3EGFR
SCHEMBL24891043 0.92 LCK (0.47) BTKLCKJAK3EGFR
SCHEMBL25593537 0.83 LCK (0.55) BTKLCKJAK3EGFR
SCHEMBL25593403 0.82 LCK (0.55) BTKLCKJAK3EGFR
SCHEMBL21947753 0.82 JAK3 (0.47) BTKLCKJAK3EGFR
SCHEMBL30195945 0.82 JAK3 (0.47) BTKLCKJAK3EGFR
SCHEMBL18884637 0.82 BTK (0.64) BTKLCKJAK3EGFR
SCHEMBL25593968 0.81 JAK3 (0.74) BTKLCKJAK3EGFR
SCHEMBL21947755 0.81 BTK (0.55) BTKLCKJAK3EGFR
SCHEMBL25649437 0.81 JAK3 (0.57) 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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