SCHEMBL19120083

SCHEMBL19120083

CC(C)(C)OC(=O)NCC#Cc1cn([C@H]2C[C@H](OC(=O)C(C)(C)C)[C@@H](CO)O2)c2ncnc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.40
▸ DOT1L Q8TEK3 2/20 0.38
▸ ADK P55263 1/20 0.38
▸ SRC P12931 10/20 0.37
▸ EGFR P00533 1/20 0.34
▸ FGFR2 P21802 1/20 0.33
▸ PRMT5 O14744 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
SCHEMBL19119584 0.89 CA2 (0.41) CA2DOT1LADKSRCFGFR2
SCHEMBL17762967 0.85 RNASE1 (0.36) —
SCHEMBL21266871 0.85 RNASE1 (0.36) —
SCHEMBL17762957 0.83 CA2 (0.43) CA2DOT1LADKFGFR2PRMT5
SCHEMBL21912327 0.82 DOT1L (0.35) CA2DOT1LADKSRC
SCHEMBL17762958 0.82 CA2 (0.43) CA2DOT1LADKFGFR2PRMT5
SCHEMBL18214128 0.81 DOT1L (0.34) CA2DOT1LADKSRC
SCHEMBL17747104 0.80 RNASE1 (0.47) —
SCHEMBL14104921 0.79 CA2 (0.47) CA2DOT1LADKPRMT5
SCHEMBL17227871 0.78 CA2 (0.43) CA2DOT1LADKSRCPRMT5

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-2017120148-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2017-07-13 — — WO disclosed
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