SCHEMBL8097712

SCHEMBL8097712

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccc(F)c(F)c4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
PIK3CA P42336 3/20 0.38
MTOR P42345 3/20 0.38
PIK3CG P48736 1/20 0.38
NAMPT P43490 4/20 0.36
CSF1R P07333 1/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
KDR P35968 2/20 0.35
EPHB4 P54760 2/20 0.35
TEK Q02763 2/20 0.35
PIK3CD O00329 4/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 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
SCHEMBL8094423 0.92 CA2 (0.43) KMT2AMEN1PIK3CAMTORPIK3CG
SCHEMBL8083973 0.91 ALDH1A1 (0.43) KMT2AMEN1PIK3CAMTORPIK3CG
SCHEMBL8084982 0.90 KIF11 (0.38) KMT2AMEN1NAMPTCSF1RKDR
SCHEMBL8089917 0.89 PIK3CA (0.39) KMT2APIK3CAMTORPIK3CGNAMPT
SCHEMBL8092637 0.89 KMT2A (0.42) KMT2APIK3CAMTORPIK3CGPIP4K2A
SCHEMBL8093179 0.89 RAB9A (0.42) KMT2AMEN1PIK3CAMTORCA2
SCHEMBL8097257 0.88 ALDH1A1 (0.41) KMT2AMEN1PIK3CAMTORPIK3CG
SCHEMBL8090705 0.88 NAMPT (0.40) PIK3CAMTORNAMPTPIK3CDCA2
SCHEMBL8093138 0.88 NAMPT (0.40) PIK3CAMTORPIK3CGNAMPTPIK3CD
SCHEMBL8089216 0.87 NAMPT (0.41) PIK3CAMTORNAMPTKDREPHB4

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