SCHEMBL8090849

SCHEMBL8090849

NCCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccn4)CCCC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
CHRNA7 P36544 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
PIK3CD O00329 7/20 0.36
PRMT3 O60678 1/20 0.35
CNR1 P21554 1/20 0.34
ATR Q13535 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8098808 0.98 NAMPT (0.39) NAMPTCHRNA7CA12CA1CA2
SCHEMBL8090846 0.93 NAMPT (0.39) NAMPTCHRNA7CA12CA1CA2
SCHEMBL8099754 0.92 CHRNA7 (0.39) NAMPTCHRNA7CA12CA1CA2
SCHEMBL8083970 0.92 NAMPT (0.39) NAMPTCHRNA7CA12CA1CA2
SCHEMBL8091924 0.89 NAMPT (0.39) NAMPTCA12CA1CA2CA9
SCHEMBL8083998 0.88 CA2 (0.39) NAMPTCA12CA1CA2CA9
SCHEMBL8090873 0.87 NAMPT (0.38) NAMPTCHRNA7CA12CA1CA2
SCHEMBL8098135 0.86 MTOR (0.39) NAMPTPIK3CDATRPIK3CAMTOR
SCHEMBL8097518 0.86 KDR (0.38) CA12CA1CA2CA9ATR
SCHEMBL8098769 0.85 NAMPT (0.39) NAMPTCA12CA1CA2CA9

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