SCHEMBL8097557

SCHEMBL8097557

C[C@@H](CO)Nc1cc(C2(S(=O)(=O)C3CC3)CCCC2)nc(-c2ccc(NC(=O)NCCCO)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.45
PIK3CA P42336 8/20 0.45
MTOR P42345 5/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
JAK1 P23458 1/20 0.35
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KIF18A Q8NI77 2/20 0.34
PDGFRB P09619 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
SCHEMBL8097098 0.89 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090843 0.86 PIK3CA (0.45) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8094369 0.86 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8099455 0.83 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8099039 0.81 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL3934555 0.80 MTOR (0.58) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8098310 0.80 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8084799 0.80 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091933 0.79 FPR2 (0.39) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8082039 0.79 PIK3CD (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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