SCHEMBL8089000

SCHEMBL8089000

CCCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4cc(F)cc(F)c4)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.40
PIK3CA P42336 4/20 0.40
NAMPT P43490 7/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MTOR P42345 2/20 0.37
KDR P35968 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
GHSR Q92847 1/20 0.36
MMP2 P08253 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
SCHEMBL8099408 0.93 CA2 (0.42) PIK3CDPIK3CANAMPTMEN1KMT2A
SCHEMBL8082005 0.92 PIK3CA (0.41) PIK3CDPIK3CANAMPTMTORCA12
SCHEMBL8091160 0.91 NAMPT (0.38) PIK3CDPIK3CANAMPTMEN1KMT2A
SCHEMBL8092385 0.90 PIK3CD (0.41) PIK3CDPIK3CANAMPTMEN1KMT2A
SCHEMBL8104051 0.89 NAMPT (0.38) PIK3CDPIK3CANAMPTMTORKDR
SCHEMBL8083655 0.89 NAMPT (0.43) PIK3CDPIK3CANAMPTMEN1KMT2A
SCHEMBL8089917 0.88 PIK3CA (0.39) PIK3CDPIK3CANAMPTKMT2AMTOR
SCHEMBL8104053 0.86 CA2 (0.41) PIK3CDPIK3CANAMPTMTORCA12
SCHEMBL8097966 0.85 KIF11 (0.37) PIK3CDPIK3CANAMPTMEN1KMT2A
SCHEMBL8089920 0.85 PIK3CD (0.39) PIK3CDPIK3CANAMPTMTOR

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