SCHEMBL9310515

SCHEMBL9310515

Nc1ncnc2c1ncn2[C@H]1CC[C@H](COC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 11/20 0.57
▸ ADORA2A P29274 1/20 0.51
▸ GSK3A P49840 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ STING1 Q86WV6 1/20 0.47

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
SCHEMBL9310971 0.86 AHCY (0.53) GSK3ARPS6KA3MAPK14
SCHEMBL9310964 0.86 AHCY (0.53) GSK3ARPS6KA3MAPK14
SCHEMBL10836169 0.81 EGFR (0.56) ADORA2AGSK3ARPS6KA3MAPK14STING1
SCHEMBL9789577 0.79 BCHE (0.53) GSK3ARPS6KA3MAPK14STING1
SCHEMBL9707227 0.78 CHKA (0.36) ADCY5ADORA2A
SCHEMBL9309410 0.78 CHKA (0.36) ADCY5ADORA2A
SCHEMBL9444432 0.78 ABCB1 (0.56) GSK3ARPS6KA3MAPK14STING1
SCHEMBL9311362 0.78 AHCY (0.42) GSK3ARPS6KA3MAPK14STING1
SCHEMBL9311355 0.78 AHCY (0.42) GSK3ARPS6KA3MAPK14STING1
SCHEMBL338780 0.77 POLB (0.60) GSK3ARPS6KA3MAPK14STING1

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
Send feedback