SCHEMBL8084982

SCHEMBL8084982

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
CSF1R P07333 1/20 0.37
KDR P35968 2/20 0.36
EPHB4 P54760 2/20 0.36
TEK Q02763 2/20 0.36
NAMPT P43490 4/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MET P08581 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8083200 0.90 ALDH1A1 (0.43) KIF11CSF1RNAMPTCA12CA1
SCHEMBL8097712 0.90 KMT2A (0.39) CSF1RKDREPHB4TEKNAMPT
SCHEMBL8097966 0.88 KIF11 (0.37) KIF11NAMPTALDH1A1MEN1KMT2A
SCHEMBL8093179 0.87 RAB9A (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL8093138 0.87 NAMPT (0.40) NAMPTCA12CA1CA2CA9
SCHEMBL8090705 0.87 NAMPT (0.40) NAMPTCA12CA1CA2CA9
SCHEMBL8091293 0.86 MAPT (0.42) KIF11NAMPTCA1CA2ALDH1A1
SCHEMBL8089216 0.86 NAMPT (0.41) KDREPHB4TEKNAMPT
SCHEMBL8085029 0.86 KIF11 (0.38) KIF11CA1CA2ALDH1A1MEN1
SCHEMBL8082685 0.86 IDO1 (0.40) ALDH1A1IDO1TDO2

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