SCHEMBL17826380

SCHEMBL17826380

C=C1N=C(N)C=CN1[C@@H]1O[C@@H]2COP(=O)(SC)OC2C1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.40
▸ PDE4B Q07343 10/20 0.40
▸ PDE4C Q08493 10/20 0.40
▸ PDE4D Q08499 10/20 0.40
▸ STING1 Q86WV6 3/20 0.37
▸ RAPGEF3 O95398 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16158841 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL18720669 0.82 RXFP1 (0.41) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL10150524 0.79 STING1 (0.34) STING1
SCHEMBL18720698 0.76 RXFP1 (0.37) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL16158833 0.75 KMT2A (0.35) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL18720658 0.74 RXFP1 (0.36) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL16158849 0.72 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL17826621 0.71 LMNA (0.47) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL10239776 0.69 STING1 (0.76) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL10150526 0.69 STING1 (0.56) PDE4APDE4BPDE4CPDE4DSTING1

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-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 — — US disclosed
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