SCHEMBL8211534

SCHEMBL8211534

CN(C)CCCNCc1cc(N)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.41
MAPK14 Q16539 1/20 0.41
MTOR P42345 10/20 0.41
PIK3CA P42336 9/20 0.41
PIK3CG P48736 3/20 0.38
EPHX1 P07099 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 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
SCHEMBL8222594 0.94 PIK3CA (0.43) KLKB1MTORPIK3CAPIK3CGEPHX1
SCHEMBL8211527 0.85 KLKB1 (0.45) KLKB1MTORPIK3CAEPHX1RAB9A
SCHEMBL8222628 0.85 KLKB1 (0.44) KLKB1MAPK14MTORPIK3CAPIK3CG
SCHEMBL11926124 0.83 KLKB1 (0.41) KLKB1MTORPIK3CAEPHX1RAB9A
SCHEMBL8214361 0.81 PIK3CA (0.47) KLKB1MTORPIK3CAPIK3CGEPHX1
SCHEMBL3598174 0.80 PIK3CA (0.65) MTORPIK3CA
SCHEMBL8212640 0.79 PIK3CA (0.51) KLKB1MTORPIK3CAEPHX1RAB9A
SCHEMBL8220934 0.79 KLKB1 (0.44) KLKB1MTORPIK3CAEPHX1RAB9A
SCHEMBL11925988 0.78 RAB9A (0.52) EPHX1RAB9AGAANPC1EPHX2
SCHEMBL8212700 0.76 KLKB1 (0.44) KLKB1MTORPIK3CAPIK3CGEPHX1

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
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed