SCHEMBL4018366

SCHEMBL4018366

O=Cc1cn(-c2nc(Cl)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MTOR P42345 3/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
PIK3CB P42338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3CA P42336 3/20 0.37
PIK3R1 P27986 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CG P48736 1/20 0.36

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
SCHEMBL1308905 0.75 MAPT (0.61) MAPTL3MBTL1MTORALDH1A1MEN1
SCHEMBL4455822 0.74 PIK3CA (0.56) MTORPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL4020573 0.73 MAPT (0.45) MAPTL3MBTL1MTORALDH1A1MEN1
SCHEMBL8251599 0.72 AR (0.58) MTORALDH1A1KMT2AHTTMAPK1
SCHEMBL38827 0.72 MAPT (0.57) MAPTL3MBTL1MTORALDH1A1MEN1
SCHEMBL28998051 0.70 ALDH1A1 (0.59) MAPTL3MBTL1MTORALDH1A1MEN1
SCHEMBL28998047 0.69 ALDH1A1 (0.62) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3596552 0.68 MAPT (0.49) MAPTMTORALDH1A1MEN1KMT2A
SCHEMBL28932426 0.67 MAPT (0.44) MAPTL3MBTL1MTORALDH1A1MEN1
SCHEMBL1310780 0.67 MAPT (0.60) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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