SCHEMBL793751

SCHEMBL793751

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.41
PI4KB Q9UBF8 7/20 0.37
HRH4 Q9H3N8 2/20 0.34
SLC9A5 Q14940 2/20 0.33
PLAU P00749 2/20 0.33
KCNH2 Q12809 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
SLC9A1 P19634 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL793596 0.83 PI4KB (0.36) LMNAPI4KBHRH4KCNH2MEN1
SCHEMBL794742 0.78 HTT (0.73) HTTALDH1A1RAB9AKMT2APDGFRB
SCHEMBL2166459 0.78 HRH4 (0.51) HRH4KMT2A
SCHEMBL19995316 0.73 ABL1 (0.43) AKT1
SCHEMBL16701366 0.72 MAPT (0.59) LMNAHTTHRH4CYP1A2CYP2D6
SCHEMBL27931611 0.72 NCF1 (0.36) LMNASLC9A5PLAUKCNH2MEN1
SCHEMBL2331200 0.71 MALT1 (0.42) KCNH2MEN1ALDH1A1KMT2A
SCHEMBL5463788 0.71 KDM4E (0.47) LMNAMEN1ALDH1A1TP53CYP1A2
SCHEMBL18816344 0.71 HRH4 (0.44) PI4KBHRH4NCF1
SCHEMBL20446033 0.71 ABL1 (0.46) PI4KBHRH4ALDH1A1

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