SCHEMBL9310971

SCHEMBL9310971

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.53
▸ ADORA2B P29275 1/20 0.53
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ ABCB1 P08183 1/20 0.50
▸ HNMT P50135 1/20 0.49

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
SCHEMBL9310964 1.00 AHCY (0.53) AHCYADORA2BGSK3ARPS6KA3MAPK14
SCHEMBL9310515 0.86 ADCY5 (0.57) GSK3ARPS6KA3MAPK14
SCHEMBL9311362 0.84 AHCY (0.42) AHCYADORA2BGSK3ARPS6KA3MAPK14
SCHEMBL9311355 0.84 AHCY (0.42) AHCYADORA2BGSK3ARPS6KA3MAPK14
SCHEMBL9444432 0.83 ABCB1 (0.56) AHCYGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL10836169 0.83 EGFR (0.56) GSK3ARPS6KA3MAPK14ABCB1
SCHEMBL338780 0.83 POLB (0.60) GSK3ARPS6KA3MAPK14ABCB1
SCHEMBL441535 0.78 ABCB1 (0.77) ADORA2BGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL9789577 0.78 BCHE (0.53) AHCYGSK3ARPS6KA3MAPK14ABCB1
SCHEMBL11644877 0.78 ABCB1 (0.77) ADORA2BGSK3ARPS6KA3MAPK14ABCB1

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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