SCHEMBL4018233

SCHEMBL4018233

Cc1nccn1-c1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.65
MTOR P42345 8/20 0.65
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
PIK3R1 P27986 4/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4018669 0.83 PIK3CA (0.58) PIK3CAMTORMAPTL3MBTL1LMNA
SCHEMBL20154101 0.81 PIK3CA (0.53) PIK3CAMTORLMNAHTTPIK3R1
SCHEMBL4020573 0.81 MAPT (0.45) PIK3CAMTORMAPTL3MBTL1LMNA
SCHEMBL8012871 0.81 PIK3CA (0.79) PIK3CAMTORLMNAPIK3R1PIK3CB
SCHEMBL8008565 0.79 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL1308905 0.78 MAPT (0.61) PIK3CAMTORMAPTL3MBTL1LMNA
SCHEMBL1311534 0.78 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL32854 0.76 MTOR (0.76) PIK3CAMTORPIK3CG
SCHEMBL4018631 0.75 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL38827 0.75 MAPT (0.57) PIK3CAMTORMAPTL3MBTL1LMNA

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