SCHEMBL5162476

SCHEMBL5162476

CCN1CCN(c2ccc(-c3nc(N)nc(N)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
RAD52 P43351 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
GFER P55789 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CHRNA7 P36544 1/20 0.51
ACHE P22303 1/20 0.50
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HRH4 Q9H3N8 8/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HTR6 P50406 1/20 0.45
PIK3CA P42336 1/20 0.45
TLR9 Q9NR96 1/20 0.44
KDM1A O60341 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL20816284 0.89 GAA (0.52) GAARAD52KDM4EMAPTGFER
SCHEMBL4724629 0.79 GAA (0.50) GAARAD52KDM4EMAPTGFER
SCHEMBL27925253 0.79 KDM4E (0.53) KDM4EMAPTHRH4HRH3HTR6
SCHEMBL30784978 0.78 PIK3CA (0.59) GAAKDM4EMAPTSMN1; SMN2ADORA2A
SCHEMBL158007 0.77 MAPT (1.00) GAARAD52KDM4EMAPTGFER
SCHEMBL6152136 0.77 MAPT (1.00) GAARAD52KDM4EMAPTGFER
SCHEMBL12319455 0.74 CHRNA7 (0.79) GAARAD52KDM4EMAPTGFER
SCHEMBL81930 0.71 GAA (0.69) GAARAD52KDM4EMAPTGFER
SCHEMBL16474221 0.71 TLR9 (0.50) GAARAD52KDM4EMAPTGFER
SCHEMBL16474222 0.71 TLR9 (0.50) GAARAD52KDM4EMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121972-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
CN-103121973-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 WO disclosed