SCHEMBL8105037

SCHEMBL8105037

CCS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=S)NCCO)cc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.53
PIK3CA P42336 6/20 0.53
MTOR P42345 2/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CDK1 P06493 1/20 0.36
NSD2 O96028 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL8084459 0.96 PIK3CD (0.50) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8101095 0.95 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090321 0.92 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090864 0.89 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8093437 0.88 PIK3CA (0.48) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8092197 0.88 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8093220 0.87 PIK3CD (0.66) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8097958 0.86 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091731 0.86 PIK3CD (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8092498 0.86 PIK3CD (0.49) 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