SCHEMBL31436097

SCHEMBL31436097

CN(C)CCCNc1nc(NCCCNC(=O)OC(C)(C)C)nc(NCCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.50
STK17A Q9UEE5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2B P29275 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
BRD4 O60885 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41

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
SCHEMBL31436103 0.95 STK17B (0.50) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL31436060 0.90 STK17B (0.58) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL31436080 0.87 TDP1 (0.58) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL31436112 0.87 TDP1 (0.62) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL31436049 0.87 TDP1 (0.49) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL31436071 0.86 TDP1 (0.69) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL285008 0.85 TDP1 (0.66) STK17BSTK17ATDP1MEN1GAA
SCHEMBL31436057 0.84 STK17B (0.48) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL31436059 0.83 STK17B (0.62) STK17BSTK17ATDP1ADORA2AADORA1
SCHEMBL31436100 0.83 TDP1 (0.47) STK17BSTK17ATDP1ADORA2AADORA1

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-2025088570-A1 IONIZABLE LIPIDS AND IONIZABLE LIPID NANOPARTICLES CRISPR THERAPEUTICS AG (CH) 2025-05-01 WO disclosed