SCHEMBL24832869

SCHEMBL24832869

Cc1nc(N2CCCC(n3cc4ccccn4c3=O)C2)cnc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.37
▸ JAK3 P52333 4/20 0.37
▸ LCK P06239 2/20 0.37
▸ PIK3CD O00329 10/20 0.35
▸ FAAH O00519 5/20 0.35
▸ PIK3R1 P27986 2/20 0.35
▸ PIK3C2B O00750 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ FGR P09769 1/20 0.33
▸ EPHA1 P21709 1/20 0.33
▸ GRK4 P32298 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ MAPK10 P53779 1/20 0.33

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
SCHEMBL24832871 0.89 BTK (0.46) BTKJAK3LCKPIK3CDFAAH
SCHEMBL24832844 0.76 JAK3 (0.41) BTKJAK3LCKPIK3CDPIK3R1
SCHEMBL30165882 0.75 LCK (0.40) BTKJAK3LCKMAP4K4IRAK4
SCHEMBL24833598 0.71 JAK3 (0.38) BTKJAK3LCKPIK3CDPIK3R1
SCHEMBL24833200 0.68 BTK (0.50) BTKJAK3FAAH
SCHEMBL24832840 0.66 JAK3 (0.53) BTKJAK3LCK
SCHEMBL16764386 0.66 JAK3 (0.53) BTKJAK3LCK
SCHEMBL16764385 0.66 JAK3 (0.53) BTKJAK3LCK
SCHEMBL24834050 0.66 JAK3 (0.53) BTKJAK3LCKPIK3CDPIK3R1
SCHEMBL16764192 0.66 JAK3 (0.53) BTKJAK3LCK

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-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 — — WO disclosed
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