SCHEMBL4018669

SCHEMBL4018669

CCc1nccn1-c1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.58
MTOR P42345 5/20 0.58
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
PIK3CB P42338 1/20 0.40
PTGS2 P35354 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TACR2 P21452 1/20 0.38
PIK3R1 P27986 1/20 0.37
SORD Q00796 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4018233 0.83 PIK3CA (0.65) PIK3CAMTORMAPTL3MBTL1MAPK1
SCHEMBL8012484 0.80 PIK3CA (0.74) PIK3CAMTORPIK3CBPIK3R1
SCHEMBL4020573 0.78 MAPT (0.45) PIK3CAMTORMAPTL3MBTL1MAPK1
SCHEMBL1308905 0.75 MAPT (0.61) PIK3CAMTORMAPTL3MBTL1MAPK1
SCHEMBL8003263 0.75 PIK3CA (0.75) PIK3CAMTORPIK3CBPIK3R1
SCHEMBL28606435 0.75 MAPT (0.56) PIK3CAMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL8008189 0.74 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3R1
SCHEMBL15386251 0.73 MAPT (0.50) MAPTL3MBTL1MAPK1SMN1; SMN2HTT
SCHEMBL1310780 0.73 MAPT (0.60) PIK3CAMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL38827 0.72 MAPT (0.57) PIK3CAMTORMAPTL3MBTL1MAPK1

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
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed