SCHEMBL9311362

SCHEMBL9311362

Nc1ncnc2c1ncn2[C@@H]1C[C@H](COC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)C[C@@H]1OC(=S)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.42
▸ STING1 Q86WV6 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ RNASEL Q05823 1/20 0.41
▸ HNMT P50135 1/20 0.40

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
SCHEMBL9311355 1.00 AHCY (0.42) AHCYADORA2BGSK3ARPS6KA3MAPK14
SCHEMBL9310964 0.84 AHCY (0.53) AHCYADORA2BGSK3ARPS6KA3MAPK14
SCHEMBL9310971 0.84 AHCY (0.53) AHCYADORA2BGSK3ARPS6KA3MAPK14
SCHEMBL9308749 0.81 AHCY (0.32) AHCYADORA2B
SCHEMBL9308744 0.81 AHCY (0.32) AHCYADORA2B
SCHEMBL9310515 0.78 ADCY5 (0.57) GSK3ARPS6KA3MAPK14STING1
SCHEMBL10836169 0.74 EGFR (0.56) GSK3ARPS6KA3MAPK14STING1ABCB1
SCHEMBL9309656 0.73 PI4KA (0.38) GSK3ARPS6KA3MAPK14P2RX3P2RX4
SCHEMBL4891275 0.73 ADCY5 (0.53) P2RX3P2RX4P2RX2STING1
SCHEMBL532525 0.73 P2RX3 (0.55) GSK3ARPS6KA3MAPK14P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 — — US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 — — EP disclosed
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