SCHEMBL8098323

SCHEMBL8098323

CCS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)NC(C)(C)CO)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PIK3CD O00329 9/20 0.42
PIK3CA P42336 8/20 0.42
MTOR P42345 3/20 0.41
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
JAK2 O60674 1/20 0.36
RXFP1 Q9HBX9 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP4K4 O95819 1/20 0.34
FGFR3 P22607 1/20 0.33
KDR P35968 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
SCHEMBL11926872 0.88 POLB (0.42) POLBPIK3CDPIK3CAMTORMEN1
SCHEMBL8212701 0.87 PIK3CA (0.42) POLBPIK3CDPIK3CAMTOR
SCHEMBL8221081 0.85 PIK3CA (0.47) POLBPIK3CDPIK3CAMTORMEN1
SCHEMBL8206190 0.83 PIK3CD (0.43) PIK3CDPIK3CAMTORMEN1ALDH1A1
SCHEMBL8084637 0.82 CA12 (0.45) PIK3CDPIK3CAMTORMEN1ALDH1A1
SCHEMBL8098332 0.82 PIK3CA (0.48) PIK3CDPIK3CAMTORMEN1MAPT
SCHEMBL8216900 0.82 PIK3CA (0.50) POLBPIK3CDPIK3CAMTORMEN1
SCHEMBL8091889 0.82 PIK3CA (0.48) POLBPIK3CDPIK3CAMTORMEN1
SCHEMBL8222645 0.79 POLB (0.42) POLBPIK3CDPIK3CAMEN1ALDH1A1
SCHEMBL8206186 0.79 RAB9A (0.45) POLBPIK3CDPIK3CAMTORALDH1A1

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