SCHEMBL25593403

SCHEMBL25593403

CN1CCc2cc(Nc3nc(N4CCCCC4)cnc3C(N)=O)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 14/20 0.55
▸ BTK Q06187 9/20 0.55
▸ JAK3 P52333 15/20 0.49
▸ EGFR P00533 9/20 0.49
▸ SYK P43405 1/20 0.49

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
SCHEMBL25593537 0.97 LCK (0.55) LCKBTKJAK3EGFRSYK
SCHEMBL24891041 0.84 LCK (0.49) LCKBTKJAK3EGFRSYK
SCHEMBL30195945 0.84 JAK3 (0.47) LCKBTKJAK3EGFR
SCHEMBL21947753 0.84 JAK3 (0.47) LCKBTKJAK3EGFR
SCHEMBL25593703 0.84 JAK3 (0.75) LCKBTKJAK3EGFR
SCHEMBL18296155 0.83 LCK (0.73) LCKBTKJAK3EGFRSYK
SCHEMBL25595883 0.83 SYK (0.50) LCKBTKJAK3EGFRSYK
SCHEMBL24891043 0.83 LCK (0.47) LCKBTKJAK3EGFRSYK
SCHEMBL25593539 0.82 BTK (0.49) LCKBTKJAK3EGFR
SCHEMBL25649437 0.82 JAK3 (0.57) LCKBTKJAK3EGFR

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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