SCHEMBL8088795

SCHEMBL8088795

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NCCN4CCCC4)cc3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
NAMPT P43490 4/20 0.44
HTR3A P46098 2/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
ATM Q13315 1/20 0.42
PRMT3 O60678 1/20 0.42
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL8095579 0.87 PIK3CD (0.44) PIK3CAMTORPIK3CG
SCHEMBL8091538 0.86 PIK3CD (0.43) PIK3CAMTORPIK3CG
SCHEMBL8083676 0.85 PIK3CA (0.46) PIK3CAMTORPIK3CG
SCHEMBL8088889 0.85 PIK3CD (0.44) MEN1KMT2ANAMPTPIK3CAMTOR
SCHEMBL8091068 0.85 PIK3CD (0.42) MEN1POLBKMT2APIK3CAMTOR
SCHEMBL8099345 0.85 PIK3CD (0.44) MEN1KMT2ANAMPTPIK3CAMTOR
SCHEMBL8092989 0.85 PIK3CA (0.46) PIK3CAMTORPIK3CG
SCHEMBL8089874 0.85 PIK3CD (0.45) PIK3CAMTORPIK3CG
SCHEMBL8083631 0.84 PIK3CD (0.41) MEN1POLBKMT2APIK3CAMTOR
SCHEMBL8083702 0.84 PIK3CD (0.41) MEN1POLBKMT2APIK3CAMTOR

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