SCHEMBL8008381

SCHEMBL8008381

CNC(=O)c1sc(N2CCOCC2)c(C#N)c1-c1cc(Cl)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.58
MTOR P42345 3/20 0.49
PIK3R1 P27986 3/20 0.43
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CNR2 P34972 2/20 0.40
F10 P00742 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL8005706 0.92 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8006661 0.88 PIK3CA (0.55) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL3427914 0.86 PIK3CA (0.78) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL3399984 0.85 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8006287 0.84 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL13597820 0.83 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8006078 0.83 PIK3CA (0.56) PIK3CAMTORPIK3R1CNR2KDM4E
SCHEMBL1550849 0.82 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8008105 0.82 PIK3CA (0.53) PIK3CAMTORPIK3R1CNR2MAPK1
SCHEMBL1551282 0.81 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed