SCHEMBL44718

SCHEMBL44718

COCCOc1cc(Nc2ncccc2C(N)=O)cc(-c2cn3ncccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 4/20 0.45
SYK P43405 5/20 0.42
MAPK1 P28482 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42
MET P08581 1/20 0.42
KIT P10721 1/20 0.42
PHKG2 P15735 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42

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
SCHEMBL39065 0.89 HTT (0.41) MAP4K2MAPK1MAP4K4MAPTRAB9A
SCHEMBL44141 0.81 LMNA (0.56) MAP4K2SYKMAPK1CDC7PLK4
SCHEMBL44514 0.78 AAK1 (0.48) MAP4K2MAPK1PIM2MAPTRAB9A
SCHEMBL44454 0.77 CHEK2 (0.36) GSK3BMAPTLMNAHTTPOLB
SCHEMBL44171 0.75 ROCK1 (0.41) ROCK2KITROCK1
SCHEMBL45017 0.75 PIK3CA (0.35) ROCK2ROCK1DYRK1AMAPTRAB9A
SCHEMBL13844884 0.75 WDR5 (0.41) ROCK2GSK3AGSK3BROCK1CLK4
SCHEMBL44471 0.74 ROCK1 (0.40) ROCK2KITROCK1MAPTLMNA
SCHEMBL43813 0.74 LMNA (0.54) SYKMAPK1MAPTRAB9ANPC1
SCHEMBL44007 0.73 ALDH1A1 (0.41) ROCK2KITFLT3ROCK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed