SCHEMBL8975180

SCHEMBL8975180

N#Cc1ccc(Nc2ncnc3c2c(-c2ccccc2)nn3[C@@H]2O[C@H](CN)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 0.84
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8328638 0.92 ADK (0.83) ADKALDH1A1LMNAGLAPMP22
SCHEMBL8328630 0.92 ADK (0.83) ADKALDH1A1LMNAGLAPMP22
SCHEMBL8975594 0.91 ADK (1.00) ADKALDH1A1LMNAGLAPMP22
SCHEMBL8975258 0.84 ADK (0.80) ADK
SCHEMBL8332958 0.84 ADK (0.70) ADK
SCHEMBL8333506 0.83 ADK (0.84) ADK
SCHEMBL8333501 0.83 ADK (0.84) ADK
SCHEMBL8328731 0.83 ADK (1.00) ADKALDH1A1LMNAGLAPMP22
SCHEMBL8328727 0.83 ADK (1.00) ADKALDH1A1LMNAGLAPMP22
SCHEMBL8975707 0.82 ADK (0.84) ADKALDH1A1LMNAGLAPMP22

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-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 — — US disclosed
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