SCHEMBL8093280

SCHEMBL8093280

CCS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NC)cc3)n2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.41
MTOR P42345 6/20 0.41
PIK3CG P48736 1/20 0.41
PIK3CD O00329 9/20 0.41
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
KMT2A Q03164 1/20 0.38
AKT1 P31749 2/20 0.37
AKT2 P31751 2/20 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
SCHEMBL8091240 0.91 PIK3CA (0.39) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8097556 0.90 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8098293 0.88 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8096245 0.87 PIK3CA (0.40) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8091937 0.87 CA12 (0.39) PIK3CAMTORPIK3CD
SCHEMBL8093619 0.87 PIK3CD (0.41) PIK3CAMTORPIK3CDKMT2A
SCHEMBL8093447 0.86 MTOR (0.43) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8097448 0.85 PIK3CA (0.43) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8096342 0.85 PIK3CA (0.41) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8106273 0.84 PIK3CD (0.43) PIK3CAMTORPIK3CGPIK3CD

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