SCHEMBL8091068

SCHEMBL8091068

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NCCCO)cc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.42
PIK3CA P42336 9/20 0.42
MTOR P42345 5/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 2/20 0.40
PDGFRB P09619 1/20 0.40
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
ATR Q13535 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL8083702 0.96 PIK3CD (0.41) PIK3CDPIK3CAMTORKDM4ENPC1
SCHEMBL8083631 0.96 PIK3CD (0.41) PIK3CDPIK3CAMTORKDM4ENPC1
SCHEMBL8083676 0.91 PIK3CA (0.46) PIK3CDPIK3CAMTORKDM4ERAB9A
SCHEMBL8092989 0.91 PIK3CA (0.46) PIK3CDPIK3CAMTORKDM4ERAB9A
SCHEMBL8095579 0.90 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091995 0.90 PIK3CD (0.41) PIK3CDPIK3CAMTORKDM4ENPC1
SCHEMBL8092197 0.90 PIK3CD (0.49) PIK3CDPIK3CAMTORKDM4ENPC1
SCHEMBL8091538 0.90 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8089874 0.88 PIK3CD (0.45) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8083872 0.88 PIK3CA (0.50) 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