SCHEMBL31436077

SCHEMBL31436077

CN1CCCC1CCNc1nc(NCCCNC(=O)OC(C)(C)C)nc(NCCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ BRD4 O60885 5/20 0.40
▸ ACKR3 P25106 2/20 0.40
▸ EPHX1 P07099 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DRD2 P14416 2/20 0.37

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
SCHEMBL31436060 0.80 STK17B (0.58) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436126 0.80 STK17B (0.46) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL445891 0.79 NMT1 (0.44) ACKR3TERT
SCHEMBL31436085 0.79 ACHE (0.46) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436068 0.78 STK17B (0.43) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436105 0.77 DRD2 (0.47) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436112 0.75 TDP1 (0.62) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436080 0.75 TDP1 (0.58) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436045 0.75 BRD4 (0.49) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436071 0.74 TDP1 (0.69) STK17BSTK17AADORA2AADORA1ADORA2B

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
Send feedback