SCHEMBL8095579

SCHEMBL8095579

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.44
PIK3CA P42336 12/20 0.41
MTOR P42345 6/20 0.40
ATR Q13535 2/20 0.38
PIK3CG P48736 2/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL8091538 0.93 PIK3CD (0.43) PIK3CDPIK3CAMTORATRPIK3CG
SCHEMBL8089874 0.92 PIK3CD (0.45) PIK3CDPIK3CAMTORATRPIK3CG
SCHEMBL8106273 0.91 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8091068 0.90 PIK3CD (0.42) PIK3CDPIK3CAMTORATRPIK3CG
SCHEMBL8092989 0.89 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8088889 0.89 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8099345 0.89 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8083676 0.89 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8097227 0.87 PIK3CD (0.43) PIK3CDPIK3CAATR
SCHEMBL8088795 0.87 CNR1 (0.47) PIK3CAMTORPIK3CG

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