SCHEMBL8217546

SCHEMBL8217546

CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)NCc3ccccn3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
KIT P10721 1/20 0.49
PDGFRA P16234 1/20 0.49
KDR P35968 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL8205071 0.85 PIK3CA (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL11925576 0.84 NPC1 (0.51) L3MBTL1CA12CA1CA2CA9
SCHEMBL8217541 0.84 PIK3CA (0.51) L3MBTL1TSHRGLAPIK3CDPIK3CA
SCHEMBL8214218 0.84 PIK3CA (0.66) PIK3CDPIK3CAKDR
SCHEMBL8214319 0.83 NAMPT (0.56) KMT2AMEN1
SCHEMBL8217442 0.82 PIK3CA (0.51) RAB9AKMT2ASMN1; SMN2ALOX15TSHR
SCHEMBL8216397 0.82 PIK3CD (0.51) NPC1RAB9ASMN1; SMN2PIK3CDPIK3CA
SCHEMBL11926095 0.82 PIK3CD (0.53) KMT2AMAPTPIK3CDPIK3CAMEN1
SCHEMBL8215121 0.82 PIK3CA (0.56) RAB9AKMT2AMAPTPIK3CDPIK3CA
SCHEMBL8206121 0.82 PIK3CA (0.62) L3MBTL1RAB9AKMT2AMAPTPIK3CD

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