SCHEMBL8094423

SCHEMBL8094423

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
P2RY1 P47900 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 3/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
IDO1 P14902 1/20 0.37
MTOR P42345 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
KDR P35968 3/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
PDGFRB P09619 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
SCHEMBL8097712 0.92 KMT2A (0.39) CA2KMT2AMEN1MTORPIK3CA
SCHEMBL8091073 0.90 KMT2A (0.37) CA2KMT2AMTORPIK3CAPIK3CG
SCHEMBL8083973 0.88 ALDH1A1 (0.43) CA2KMT2AMEN1NPC1RAB9A
SCHEMBL8089917 0.87 PIK3CA (0.39) CA2KMT2AMTORPIK3CAPIK3CG
SCHEMBL8092637 0.86 KMT2A (0.42) CA2KMT2AMTORPIK3CAPIK3CG
SCHEMBL8097257 0.86 ALDH1A1 (0.41) CA2KMT2AMEN1LMNARAB9A
SCHEMBL8090246 0.85 PIK3CA (0.42) KMT2AMEN1HTTMAPTMTOR
SCHEMBL8090158 0.84 MTOR (0.46) CA2MTORPIK3CAPIK3CGCA12
SCHEMBL8099749 0.84 MTOR (0.40) KMT2AMTORPIK3CAPIK3CG
SCHEMBL8094619 0.83 PIP4K2A (0.40) KMT2AMTORPIK3CAPIK3CG

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