SCHEMBL8096016

SCHEMBL8096016

CCCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C(C)(C)C)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.43
PIK3CA P42336 9/20 0.43
GHSR Q92847 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDR P35968 1/20 0.38
MTOR P42345 3/20 0.37
RXRA P19793 1/20 0.37
NAMPT P43490 1/20 0.37
PIK3CG P48736 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 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
SCHEMBL8091995 0.91 PIK3CD (0.41) PIK3CDPIK3CAGHSRMEN1KMT2A
SCHEMBL8090572 0.88 PIK3CD (0.41) PIK3CDPIK3CAKDRNAMPT
SCHEMBL8082001 0.87 PIK3CD (0.42) PIK3CDPIK3CAGHSRMEN1KMT2A
SCHEMBL8099345 0.86 PIK3CD (0.44) PIK3CDPIK3CAGHSRMEN1KMT2A
SCHEMBL8088889 0.86 PIK3CD (0.44) PIK3CDPIK3CAGHSRMEN1KMT2A
SCHEMBL8092385 0.85 PIK3CD (0.41) PIK3CDPIK3CAGHSRMEN1KMT2A
SCHEMBL8091998 0.85 KIF11 (0.40) PIK3CDPIK3CAMEN1KMT2AMTOR
SCHEMBL8096026 0.85 POLB (0.40) PIK3CDPIK3CAMEN1KMT2AMTOR
SCHEMBL8104038 0.85 CA12 (0.41) PIK3CDPIK3CAGHSRMEN1KMT2A
SCHEMBL8083655 0.85 NAMPT (0.43) PIK3CDPIK3CAMEN1KMT2AKDR

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