SCHEMBL6580229

SCHEMBL6580229

[CH2]C1CN(c2ccc(N)c(N)c2)CCN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
GAA P10253 4/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PTK2B Q14289 2/20 0.44
RECQL P46063 1/20 0.44
SIRT6 Q8N6T7 1/20 0.38
RAD52 P43351 1/20 0.38
LMNA P02545 3/20 0.36
S100B P04271 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2C P18825 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL3535324 0.83 MAPT (0.45) MAPTGAAMAPK1HTTKDM4E
SCHEMBL3535320 0.83 MAPT (0.45) MAPTGAAMAPK1HTTKDM4E
SCHEMBL3540549 0.76 GAA (0.39) MAPTGAAMAPK1HTTKDM4E
SCHEMBL76547 0.74 GAA (0.73) MAPTGAAMAPK1HTTKDM4E
SCHEMBL29745032 0.74 GAA (0.73) MAPTGAAMAPK1HTTKDM4E
Ammonia Solution, Strong SCHEMBL14746306 0.73 GAA (0.71) MAPTGAAMAPK1HTTKDM4E
SCHEMBL23072821 0.70 MAPT (0.41) MAPTGAAMAPK1HTTKDM4E
SCHEMBL20292786 0.70 MAPT (0.41) MAPTGAAMAPK1HTTKDM4E
SCHEMBL30565932 0.70 MAPT (0.41) MAPTGAAMAPK1HTTKDM4E
SCHEMBL3935104 0.69 MAPT (0.65) MAPTGAAMAPK1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 WO disclosed