SCHEMBL5886633

SCHEMBL5886633

Nc1ccccc1-c1nccn1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.57
MTOR P42345 12/20 0.57
PIK3CB P42338 3/20 0.48
PIK3R1 P27986 7/20 0.48
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
POLB P06746 1/20 0.42
RICTOR Q6R327 1/20 0.42
RPTOR Q8N122 1/20 0.42
MAPKAP1 Q9BPZ7 1/20 0.42
MLST8 Q9BVC4 1/20 0.42

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
SCHEMBL7999520 0.77 PIK3CA (0.61) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL27539841 0.75 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3R1KDM4E
SCHEMBL8008565 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL8009816 0.72 PIK3CA (0.73) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL11764095 0.70 GAA (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7999531 0.69 PIK3CA (0.72) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL27657223 0.69 MAPKAPK2 (0.45) ALDH1A1HTT
SCHEMBL8003220 0.69 PIK3CA (0.78) PIK3CAMTORPIK3CBPIK3R1PIK3CD
SCHEMBL4018233 0.69 PIK3CA (0.65) PIK3CAMTORPIK3CBPIK3R1LMNA
SCHEMBL1310963 0.68 PIK3CA (0.51) PIK3CAMTORPIK3CBPIK3R1LMNA

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-7071189-B2 Heterocyclic compound and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-07-04 US disclosed
US-20040116421-A1 Heterocyclic compound and antitumor agent containing the same as active ingredient OHARA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed