SCHEMBL30592403

SCHEMBL30592403

CC(C)N(C(C)C)[PH](O)(CCC#N)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.54
▸ ADORA1 P30542 3/20 0.54
▸ DOT1L Q8TEK3 2/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ DPP4 P27487 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ SLC28A1 O00337 1/20 0.54
▸ MAP3K7 O43318 1/20 0.54
▸ SLC28A2 O43868 1/20 0.54
▸ GAPDH P04406 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ STAT6 P42226 1/20 0.54
▸ PI4KA P42356 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PI4K2B Q8TCG2 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.54
▸ PI4K2A Q9BTU6 1/20 0.54
▸ SLC28A3 Q9HAS3 1/20 0.54

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
SCHEMBL30591564 0.84 HINT1 (0.49) ADORA3ADORA1ADORA2ATAS1R3TAS1R1
SCHEMBL8616997 0.80 ADORA3 (0.72) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL30324459 0.80 ADORA3 (0.54) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL16359953 0.76 ADORA3 (0.75) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL3369124 0.76 ADORA3 (0.75) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL23547979 0.76 ADORA3 (0.75) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL21418864 0.76 ADORA3 (0.75) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL29748808 0.76 ADORA3 (0.75) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL1066939 0.76 ADORA3 (0.75) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2
SCHEMBL16724749 0.76 ADORA3 (0.75) ADORA3ADORA1DOT1LADORA2ASMN1; SMN2

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-2023175536-A1 LIPID MONOMERS FOR THERAPEUTIC DELIVERY OF RNA JANSSEN BIOTECH, INC. (US) 2023-09-21 — — WO disclosed
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