SCHEMBL793596

SCHEMBL793596

Nc1nc(S)c(N)c(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 9/20 0.36
HRH4 Q9H3N8 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDGFRB P09619 1/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 2/20 0.31

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
SCHEMBL793751 0.83 LMNA (0.42) PI4KBHRH4MEN1KMT2APDGFRB
SCHEMBL654787 0.79 MAP4K4 (0.45) LMNA
SCHEMBL794385 0.77 HTT (0.46)
SCHEMBL5463788 0.70 KDM4E (0.47) MEN1KMT2ACTSKLMNA
SCHEMBL18816344 0.70 HRH4 (0.44) PI4KBHRH4
SCHEMBL20446033 0.70 ABL1 (0.46) PI4KBHRH4
SCHEMBL16178547 0.69 PI4KB (0.70) PI4KBKCNH2
SCHEMBL16163803 0.69 PI4KB (0.35) PI4KBKCNH2
SCHEMBL7062532 0.67 HTR6 (0.54) MEN1
SCHEMBL18282590 0.66 LIPA (0.39) KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO disclosed