SCHEMBL31436068

SCHEMBL31436068

CC(C)(C)OC(=O)NCCCNc1nc(NCCCNC(=O)OC(C)(C)C)nc(NCCN2CCC(O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ DRD2 P14416 11/20 0.43
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ CACNA1H O95180 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL31436126 0.89 STK17B (0.46) STK17BSTK17ADRD2ADORA2AADORA1
SCHEMBL31436085 0.87 ACHE (0.46) STK17BSTK17ADRD2ADORA2AADORA1
SCHEMBL31436105 0.87 DRD2 (0.47) STK17BSTK17ADRD2ADORA2AADORA1
SCHEMBL31436045 0.85 BRD4 (0.49) STK17BSTK17ADRD2ADORA2AADORA1
SCHEMBL22699069 0.83 DRD2 (0.54) DRD2CACNA1HSIGMAR1TDP1
SCHEMBL31436060 0.82 STK17B (0.58) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436077 0.78 STK17B (0.42) STK17BSTK17ADRD2ADORA2AADORA1
SCHEMBL31436112 0.77 TDP1 (0.62) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436080 0.77 TDP1 (0.58) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436059 0.76 STK17B (0.62) STK17BSTK17ADRD2ADORA2AADORA1

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
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