SCHEMBL5201367

SCHEMBL5201367

COc1ccc(-c2n[nH]c(N)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
DYRK1A Q13627 1/20 0.51
ACHE P22303 2/20 0.49
CCNE2 O96020 2/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
GAA P10253 3/20 0.46
RAB9A P51151 2/20 0.46
ADORA2A P29274 1/20 0.46
GFER P55789 1/20 0.46
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2089484 0.84 KMT2A (0.53) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL8124145 0.81 ADORA1 (0.65) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL5202853 0.79 MEN1 (0.50) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL19926114 0.79 CDK4 (0.53) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL5199692 0.79 MAPT (0.51) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL7114450 0.77 ADORA2A (0.46) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL5236193 0.75 ALDH1A1 (0.68) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL1802347 0.75 DYRK1A (0.48) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL13516427 0.74 MAPT (0.50) KMT2AMEN1MAPTKDM4EDYRK1A
SCHEMBL28067319 0.74 MAPT (0.50) KMT2AMEN1MAPTKDM4EDYRK1A

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-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 WO disclosed