SCHEMBL7598522

SCHEMBL7598522

NCCCCCCNc1nc2c(N)ncnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.50
▸ PI4KA P42356 2/20 0.41
▸ PI4K2B Q8TCG2 2/20 0.41
▸ PI4K2A Q9BTU6 2/20 0.41
▸ PI4KB Q9UBF8 2/20 0.41
▸ XDH P47989 2/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CHEK1 O14757 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ADCY1 Q08828 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ DHFR P00374 1/20 0.32

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
SCHEMBL2179783 0.84 PI4KA (0.56) PIM1PI4KAPI4K2BPI4K2API4KB
Niacinamide SCHEMBL8510801 0.81 EGFR (0.42) PIM1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4581404 0.73 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL10033234 0.73 ALDH1A1 (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL10033236 0.72 PI4KA (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL14778070 0.72 PI4KA (0.49) PIM1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16205209 0.70 XDH (0.50) PIM1XDHHSP90AA1HSP90AB1GPR84
SCHEMBL5388762 0.69 PIM1 (0.45) PIM1XDHHSP90AA1HSP90AB1HRH3
SCHEMBL26985240 0.69 PIM1 (0.48) PIM1XDHHRH3GPR84F13A1
SCHEMBL4758951 0.69 DYRK1B (0.40) PIM1HSP90AA1HSP90AB1HRH3NPY1R

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 — — EP disclosed
US-5817786-A Single-stranded labelled oligonucleotides of preselected sequences MOLECULAR BIOSYSTEMS, INC. (US) 1998-10-06 — — US disclosed
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 — — US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 — — US disclosed
US-4948882-A Single-stranded labelled oligonucleotides, reactive monomers and methods of synthesis SYNGENE, INC. (US) 1990-08-14 — — US disclosed
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 — — EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 — — EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 — — EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 — — WO disclosed
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