SCHEMBL8093540

SCHEMBL8093540

Nc1cc(C2(S(=O)(=O)c3ccccn3)CC2)nc(-c2ccc(NC(=O)Nc3ccon3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
POLB P06746 1/20 0.39
MTOR P42345 7/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.37
ATR Q13535 1/20 0.37
PIK3CA P42336 5/20 0.36
KDM4E B2RXH2 1/20 0.35
PIK3R1 P27986 4/20 0.35
FLT3 P36888 1/20 0.33

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
SCHEMBL8092270 0.90 NPC1 (0.43) RAB9AMTORKMT2AMEN1NPC1
SCHEMBL8099967 0.88 RAB9A (0.41) RAB9APOLBMTORKMT2AMEN1
SCHEMBL8096070 0.86 MTOR (0.40) MTORKMT2AATRPIK3CAPIK3R1
SCHEMBL8090195 0.85 RAB9A (0.47) RAB9APOLBMTORKMT2AMEN1
SCHEMBL8096681 0.84 ATR (0.40) MTORKMT2AMEN1ATRPIK3CA
SCHEMBL8091838 0.84 KMT2A (0.43) RAB9APOLBMTORKMT2AMEN1
SCHEMBL8092294 0.83 ROCK2 (0.39) MTORNPC1ATRPIK3CAPIK3R1
SCHEMBL8098135 0.82 MTOR (0.39) MTORATRPIK3CAPIK3R1
SCHEMBL4006953 0.82 PIK3CA (0.51) MTORATRPIK3CA
SCHEMBL8091129 0.82 KDR (0.40) RAB9AATRFLT3

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed