SCHEMBL15744120

SCHEMBL15744120

N#Cc1c(N2CCOCC2)sc(C2=NNNN2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.67
MTOR P42345 5/20 0.67
PIK3R1 P27986 7/20 0.46
PIK3CD O00329 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AR P10275 1/20 0.39
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3148532 0.83 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552029 0.81 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552152 0.81 PIK3CA (0.69) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1551691 0.80 PIK3CA (0.76) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552141 0.80 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552162 0.80 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6751689 0.80 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552149 0.80 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL15200239 0.78 PIK3CA (0.68) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6748729 0.78 PIK3CA (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed