SCHEMBL10659573

SCHEMBL10659573

CCCNc1ncnc2c(N3CC[S+]([O-])CC3)nc(N3CCNCC3)nc12

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 20/20 0.57

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
SCHEMBL10663380 0.94 KHK (0.54) KHK
SCHEMBL10661350 0.92 KHK (0.59) KHK
SCHEMBL10659855 0.91 KHK (0.46) KHK
SCHEMBL10660711 0.89 KHK (0.46) KHK
SCHEMBL10663896 0.88 KHK (0.48) KHK
SCHEMBL10663494 0.87 KHK (0.54) KHK
SCHEMBL10659703 0.86 KHK (0.50) KHK
SCHEMBL11122186 0.84 KHK (0.53) KHK
SCHEMBL10660514 0.84 KHK (0.49) KHK
SCHEMBL10664615 0.84 KHK (0.54) KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 — — US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 — — US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 — — US disclosed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 — — EP disclosed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
Send feedback