SCHEMBL8217162

SCHEMBL8217162

CCNC(=O)c1cc(N)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.47
PIK3CA P42336 4/20 0.42
MTOR P42345 3/20 0.42
PIK3CG P48736 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
EPHX1 P07099 2/20 0.42
GAA P10253 1/20 0.42
PIK3CD O00329 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 1/20 0.40
EPHX2 P34913 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL8219069 0.88 KLKB1 (0.44) KLKB1RAB9ANPC1EPHX1GAA
SCHEMBL8219738 0.83 EPHX1 (0.42) KLKB1PIK3CAMTORPIK3CGRAB9A
SCHEMBL8212700 0.83 KLKB1 (0.44) KLKB1PIK3CAMTORPIK3CGRAB9A
SCHEMBL8214361 0.80 PIK3CA (0.47) KLKB1PIK3CAMTORPIK3CGRAB9A
SCHEMBL8219731 0.80 KLKB1 (0.42) KLKB1PIK3CAMTORRAB9ANPC1
SCHEMBL8212640 0.80 PIK3CA (0.51) KLKB1PIK3CAMTORRAB9ANPC1
SCHEMBL8213959 0.79 PIK3CA (0.48) PIK3CAMTORPIK3CGKDREPHX2
SCHEMBL11925988 0.79 RAB9A (0.52) RAB9ANPC1EPHX1GAAKDR
SCHEMBL8217151 0.78 EPHX2 (0.43) KLKB1PIK3CAMTORPIK3CGRAB9A
SCHEMBL8217175 0.78 EPHX2 (0.47) PIK3CAMTORPIK3CGRAB9ANPC1

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
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed