SCHEMBL18193151

SCHEMBL18193151

C[C@H](Nc1nc(-c2cccc(NS(C)(=O)=O)c2)nc(N2CCOCC2)n1)C(=O)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.55
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
MTOR P42345 5/20 0.47
PIK3CG P48736 2/20 0.47
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3C2B O00750 2/20 0.42
USP2 O75604 1/20 0.42
HIF1A Q16665 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 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
SCHEMBL12499401 0.90 PIK3CA (0.68) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL12499391 0.88 CYP1A2 (0.59) PIK3CACYP1A2CYP3A4LMNATSHR
SCHEMBL18193245 0.82 CYP1A2 (0.59) PIK3CACYP1A2CYP3A4LMNATSHR
SCHEMBL12499329 0.78 PIK3CA (0.72) PIK3CACYP1A2CYP3A4LMNATSHR
SCHEMBL12499830 0.74 PIK3CA (0.77) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL12498959 0.73 PIK3CA (0.69) PIK3CAMTORKMT2A
SCHEMBL15386541 0.73 PIK3CA (0.53) PIK3CALMNAMTORPIK3CGMEN1
SCHEMBL12498527 0.72 PIK3CA (0.62) PIK3CACYP1A2CYP3A4TSHRMTOR
SCHEMBL16308327 0.70 PIK3CD (0.59) PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL12498761 0.68 PIK3CA (0.67) PIK3CAMTORKMT2A

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
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed