SCHEMBL8212700

SCHEMBL8212700

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
EPHX1 P07099 5/20 0.44
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42
EPHX2 P34913 4/20 0.41
PIK3CA P42336 3/20 0.41
MTOR P42345 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KIT P10721 2/20 0.39
KDR P35968 2/20 0.39
PDGFRA P16234 1/20 0.39
PIK3CG P48736 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
SCHEMBL8214361 0.88 PIK3CA (0.47) KLKB1EPHX1RAB9AGAANPC1
SCHEMBL8219731 0.88 KLKB1 (0.42) KLKB1EPHX1RAB9AGAANPC1
SCHEMBL8217162 0.83 KLKB1 (0.47) KLKB1EPHX1RAB9AGAANPC1
SCHEMBL11926884 0.83 KIF11 (0.43) NPC1PIK3CAMTORALDH1A1KDM4E
SCHEMBL8211527 0.82 KLKB1 (0.45) KLKB1EPHX1RAB9AGAANPC1
SCHEMBL8219738 0.81 EPHX1 (0.42) KLKB1EPHX1RAB9AGAANPC1
SCHEMBL8213959 0.81 PIK3CA (0.48) EPHX2PIK3CAMTORKDRPIK3CG
SCHEMBL8217151 0.80 EPHX2 (0.43) KLKB1EPHX1RAB9AGAAEPHX2
SCHEMBL8217175 0.80 EPHX2 (0.47) EPHX1RAB9AGAANPC1EPHX2
SCHEMBL8219069 0.80 KLKB1 (0.44) KLKB1EPHX1RAB9AGAANPC1

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