SCHEMBL8220934

SCHEMBL8220934

CC(C)(CO)NCc1cc(N)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
EPHX1 P07099 5/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 1/20 0.39
KDR P35968 4/20 0.38
KIT P10721 2/20 0.38
PDGFRA P16234 1/20 0.38
PIK3CA P42336 3/20 0.38
MTOR P42345 3/20 0.38
RICTOR Q6R327 1/20 0.38
RPTOR Q8N122 1/20 0.38
MAPKAP1 Q9BPZ7 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
NPC1 O15118 4/20 0.38
FLT3 P36888 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8211527 0.81 KLKB1 (0.45) KLKB1EPHX1EPHX2RAB9AGAA
SCHEMBL8212640 0.81 PIK3CA (0.51) KLKB1EPHX1RAB9AGAAKDR
SCHEMBL8222628 0.81 KLKB1 (0.44) KLKB1EPHX1EPHX2RAB9AGAA
SCHEMBL8222594 0.81 PIK3CA (0.43) KLKB1EPHX1RAB9AGAAKDR
SCHEMBL11925988 0.80 RAB9A (0.52) EPHX1EPHX2RAB9AGAAKDR
SCHEMBL3601838 0.80 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL8211534 0.79 KLKB1 (0.41) KLKB1EPHX1EPHX2RAB9AGAA
SCHEMBL11926124 0.79 KLKB1 (0.41) KLKB1EPHX1RAB9AGAAKDR
SCHEMBL8214242 0.78 CYP3A4 (0.44) EPHX1EPHX2RAB9AGAAPIK3CA
SCHEMBL8219567 0.78 PIK3CA (0.42) KLKB1EPHX1RAB9AGAAKDR

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