SCHEMBL15935949

SCHEMBL15935949

CS(=O)(=O)Nc1cc(-c2sc(-c3nnc[nH]3)c(-c3ccc(Cl)cc3Cl)c2C#N)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SCN9A Q15858 3/20 0.31
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12947751 0.93 PIK3CA (0.33) PIK3CAMTORPIK3C3HSP90AA1HSP90AB1
SCHEMBL13105844 0.92 PIK3CA (0.32) PIK3CAMTORSCN9A
SCHEMBL12947583 0.92 PIK3CA (0.40) PIK3CAMTORHPGDMEN1LMNA
SCHEMBL954626 0.89 PIK3CA (0.42) PIK3CAMTORHPGDMEN1LMNA
SCHEMBL12947753 0.89 PIK3CA (0.38) PIK3CAMTORMEN1LMNAGAA
SCHEMBL952919 0.87 PIK3C3 (0.40) PIK3CAMTORGSK3AGSK3BPIK3C3
SCHEMBL12918036 0.86 PIK3C3 (0.31) PIK3CAMTORPIK3C3
SCHEMBL12918088 0.85 PIK3CA (0.39) PIK3CAMTORMEN1KMT2AGSK3A
SCHEMBL15935947 0.85 PIK3CA (0.39) PIK3CAMTORHPGDMEN1LMNA
SCHEMBL12947642 0.85 PIK3CA (0.40) PIK3CAMTORHPGDMEN1LMNA

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-8796314-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed