SCHEMBL8211527

SCHEMBL8211527

CN(C)Cc1cc(N)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.45
PIK3CA P42336 4/20 0.45
MTOR P42345 3/20 0.45
EPHX1 P07099 4/20 0.43
RAB9A P51151 4/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 4/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11926124 0.89 KLKB1 (0.41) KLKB1PIK3CAMTOREPHX1RAB9A
SCHEMBL8222594 0.87 PIK3CA (0.43) KLKB1PIK3CAMTOREPHX1RAB9A
SCHEMBL8211534 0.85 KLKB1 (0.41) KLKB1PIK3CAMTOREPHX1RAB9A
SCHEMBL8212640 0.85 PIK3CA (0.51) KLKB1PIK3CAMTOREPHX1RAB9A
SCHEMBL11925988 0.84 RAB9A (0.52) EPHX1RAB9AGAANPC1ALDH1A1
SCHEMBL8214361 0.83 PIK3CA (0.47) KLKB1PIK3CAMTOREPHX1RAB9A
SCHEMBL8212700 0.82 KLKB1 (0.44) KLKB1PIK3CAMTOREPHX1RAB9A
SCHEMBL8205208 0.82 PIK3CA (0.42) KLKB1PIK3CAMTOREPHX1RAB9A
SCHEMBL11926130 0.81 PIK3CA (0.41) PIK3CAMTOREPHX1RAB9ANPC1
SCHEMBL8220939 0.81 KLKB1 (0.44) KLKB1PIK3CAMTOREPHX1RAB9A

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