SCHEMBL8098739

SCHEMBL8098739

Cc1nc(C)c(S(=O)(=O)C2(c3cc(N)nc(-c4ccc(NC(=O)NCC(F)F)cc4)n3)CC2)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.36
PIK3CA P42336 8/20 0.34
KIT P10721 1/20 0.32
RORC P51449 1/20 0.32
GAA P10253 2/20 0.32
MTOR P42345 3/20 0.32
PIK3CG P48736 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
PIK3CB P42338 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8099563 0.90 PIK3CA (0.38) PIK3CDPIK3CAKITGAAMTOR
SCHEMBL8107169 0.88 MTOR (0.37) PIK3CDPIK3CAKITMTORPIK3CG
SCHEMBL8099251 0.84 NAMPT (0.38) PIK3CDPIK3CAGAAMTORPIK3CG
SCHEMBL8084284 0.83 NAMPT (0.39) PIK3CDPIK3CAGAAMEN1MAPT
SCHEMBL8099965 0.83 NAMPT (0.39) PIK3CDPIK3CARORCMAPTKDM4E
SCHEMBL4203982 0.82 MTOR (0.53) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8097253 0.82 PIK3CD (0.36) PIK3CDPIK3CAMTORMEN1MAPT
SCHEMBL8093145 0.82 MAPT (0.39) PIK3CDPIK3CAMTORPIK3CGMEN1
SCHEMBL8089216 0.81 NAMPT (0.41) PIK3CDPIK3CAMTORKDR
SCHEMBL8091502 0.81 NAMPT (0.39) PIK3CDPIK3CAMAPT

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