SCHEMBL808049

SCHEMBL808049

CC(C)(C)OC(=O)Nc1cccc(-c2nc(CN3CCOCC3)cc(Nc3nc4cccnc4s3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.43
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
DYRK1A Q13627 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
RORC P51449 1/20 0.38
DHODH Q02127 1/20 0.38
JAK3 P52333 1/20 0.38
PPARG P37231 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
HCK P08631 1/20 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
SCHEMBL807917 0.76 LCK (0.39) LCKPIK3CDPIK3CAPIK3CGRORC
SCHEMBL20908673 0.74 JAK3 (0.41) LCKCD274JAK3NCOR2
SCHEMBL807541 0.72 ITK (0.55) LCKRORCDHODH
SCHEMBL10286653 0.71 HCK (0.44) LCKRORCDHODHJAK3HCK
SCHEMBL807804 0.71 LCK (0.46) LCKPIK3CDPIK3CAPIK3CGRORC
SCHEMBL807926 0.71 ITK (0.59) LCKRORCDHODHHCKBTK
SCHEMBL15971997 0.70 CD274 (0.50) DYRK1ACD274
SCHEMBL30001326 0.70 CD274 (0.50) DYRK1ACD274
SCHEMBL807713 0.70 ITK (0.41) LCKKDM4ERORCDHODH
SCHEMBL139139 0.69 LCK (0.70) LCKRORCDHODHHCKBTK

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-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed