SCHEMBL17762958

SCHEMBL17762958

CC[C@H]1O[C@@H](n2cc(C#CCN)c3c(N)ncnc32)C[C@@H]1OC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ ADK P55263 4/20 0.37
▸ FGFR2 P21802 7/20 0.36
▸ DOT1L Q8TEK3 1/20 0.36
▸ FGFR1 P11362 2/20 0.35
▸ FGFR4 P22455 2/20 0.35
▸ FGFR3 P22607 2/20 0.35
▸ RNMT O43148 1/20 0.35
▸ NAE1 Q13564 3/20 0.35
▸ UBA3 Q8TBC4 2/20 0.35
▸ UBA1 P22314 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ PRMT5 O14744 2/20 0.34
▸ METTL3 Q86U44 1/20 0.34

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
SCHEMBL17762957 0.94 CA2 (0.43) CA2ADKFGFR2DOT1LFGFR1
SCHEMBL19119584 0.93 CA2 (0.41) CA2ADKFGFR2DOT1LFGFR1
SCHEMBL17762956 0.85 ADK (0.53) ADKPRMT5METTL3
SCHEMBL2611654 0.82 CA2 (0.41) CA2ADKFGFR2DOT1LFGFR1
SCHEMBL19120083 0.82 CA2 (0.40) CA2ADKFGFR2DOT1LPRMT5
SCHEMBL13804727 0.80 CA2 (0.40) CA2ADKFGFR2DOT1LFGFR1
SCHEMBL22386563 0.80 CA2 (0.44) CA2ADKFGFR2DOT1LFGFR1
SCHEMBL20664050 0.80 CA2 (0.44) CA2ADKFGFR2DOT1LNAE1
SCHEMBL17762952 0.77 DNMT1 (0.34) —
SCHEMBL21266956 0.77 RNASE1 (0.39) —

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
US-20160139133-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2016-05-19 — — US disclosed
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