SCHEMBL794742

SCHEMBL794742

Nc1c(Cl)ncnc1N1CCN(C(=O)O)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
AKT1 P31749 8/20 0.44
KIT P10721 6/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
WDR5 P61964 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDGFRB P09619 1/20 0.37
AKT2 P31751 2/20 0.37
AKT3 Q9Y243 2/20 0.37

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
SCHEMBL10320121 0.82 HTT (0.46) HTTAKT1KITKDM4EALDH1A1
SCHEMBL794385 0.82 HTT (0.46) HTTAKT1KITKDM4EGAA
SCHEMBL656985 0.80 HTT (0.60) HTTKITALDH1A1MAPTKMT2A
SCHEMBL25180032 0.79 ACHE (0.45) HTTKITKMT2APDGFRB
SCHEMBL27622945 0.78 HTT (0.43) HTTAKT1KITKDM4EGAA
SCHEMBL793751 0.78 LMNA (0.42) HTTAKT1ALDH1A1KMT2ARAB9A
SCHEMBL23932475 0.76 AKT1 (0.44) HTTAKT1KITKDM4EALDH1A1
SCHEMBL2331200 0.76 MALT1 (0.42) ALDH1A1KMT2A
SCHEMBL27665866 0.74 HTT (0.60) HTTAKT1KITKDM4EGAA
SCHEMBL3884555 0.74 FLT3 (0.44) AKT1KITPDGFRB

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