SCHEMBL4020573

SCHEMBL4020573

O=Cc1nccn1-c1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CA P42336 6/20 0.45
MTOR P42345 6/20 0.45
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.43
PIK3CB P42338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PIK3R1 P27986 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK3 P52333 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 0.81 PIK3CA (0.65) MAPTL3MBTL1PIK3CAMTORHTT
SCHEMBL4018669 0.78 PIK3CA (0.58) MAPTL3MBTL1PIK3CAMTORHTT
SCHEMBL1308905 0.76 MAPT (0.61) MAPTL3MBTL1PIK3CAMTORHTT
SCHEMBL4018366 0.73 MAPT (0.44) MAPTL3MBTL1PIK3CAMTORHTT
SCHEMBL38827 0.73 MAPT (0.57) MAPTL3MBTL1PIK3CAMTORHTT
SCHEMBL28998051 0.71 ALDH1A1 (0.59) MAPTL3MBTL1PIK3CAMTORHTT
SCHEMBL28998047 0.70 ALDH1A1 (0.62) MAPTL3MBTL1HTTLMNAALDH1A1
SCHEMBL6626404 0.68 PIK3CB (0.87) MAPTL3MBTL1PIK3CAMTORPIK3CB
SCHEMBL28932426 0.68 MAPT (0.44) MAPTL3MBTL1PIK3CAMTORHTT
SCHEMBL777891 0.67 HRH1 (0.55) MAPTL3MBTL1PIK3CAHTTLMNA

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