SCHEMBL6886483

SCHEMBL6886483

CNC(=O)c1cc(N2CCN(C)C(C)C2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.44
WDR5 P61964 4/20 0.41
ADRA2A P08913 9/20 0.37
ADRA2B P18089 9/20 0.37
ADRA2C P18825 9/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
PTK2B Q14289 1/20 0.37
IKBKB O14920 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SIRT6 Q8N6T7 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL6887531 0.83 SIRT6 (0.54) WDR5MAPTMAPK1SIRT6
SCHEMBL1558664 0.83 MAPT (0.55) IP6K1ADRA2CKDM4EGAAMAPT
SCHEMBL17779230 0.80 IP6K1 (0.68) IP6K1KDM4EGAAMAPTMAPK1
SCHEMBL3535324 0.80 MAPT (0.45) ADRA2AADRA2BADRA2CKDM4EGAA
SCHEMBL3535320 0.80 MAPT (0.45) ADRA2AADRA2BADRA2CKDM4EGAA
SCHEMBL6887548 0.80 IP6K1 (0.43) IP6K1IKBKB
SCHEMBL17779283 0.79 IP6K1 (0.66) IP6K1KDM4EGAAMAPTMAPK1
SCHEMBL691990 0.78 IP6K1 (0.47) IP6K1KDM4EGAAMAPTMAPK1
SCHEMBL1231926 0.76 LGMN (0.54) IP6K1MAPTMAPK1JAK2JAK1
SCHEMBL5804163 0.76 WDR5 (0.43) WDR5ADRA2AADRA2BADRA2CKDM4E

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
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed