SCHEMBL8216397

SCHEMBL8216397

CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)NCc3cncs3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.51
PIK3CA P42336 7/20 0.51
MTOR P42345 4/20 0.47
NAMPT P43490 4/20 0.43
MAP4K1 Q92918 1/20 0.40
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL8217541 0.83 PIK3CA (0.51) PIK3CDPIK3CAMTORNAMPTCYP2C9
SCHEMBL11926095 0.83 PIK3CD (0.53) PIK3CDPIK3CAMTORNAMPTMAPK1
SCHEMBL8214218 0.83 PIK3CA (0.66) PIK3CDPIK3CAMTOR
SCHEMBL8214319 0.82 NAMPT (0.56) NAMPTCYP2C9
SCHEMBL8217546 0.82 L3MBTL1 (0.55) PIK3CDPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL8217442 0.81 PIK3CA (0.51) PIK3CDPIK3CAMTORMAPK1RAB9A
SCHEMBL8206121 0.81 PIK3CA (0.62) PIK3CDPIK3CAMTORNAMPTRAB9A
SCHEMBL8215121 0.81 PIK3CA (0.56) PIK3CDPIK3CAMTORRAB9A
SCHEMBL3601767 0.81 PIK3CA (0.78) PIK3CDPIK3CAMTOR
SCHEMBL11926829 0.80 PIK3CA (0.52) PIK3CDPIK3CAMTORNAMPTMAPK1

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