SCHEMBL4100989

SCHEMBL4100989

Nc1cc2nc(C(F)(F)F)[nH]c2cc1F.O=[N+]([O-])c1cc2[nH]c(C(F)(F)F)nc2c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 6/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TYMS P04818 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 2/20 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
SCHEMBL4100990 0.87 MAPT (0.40) MAPTKDM4EPOLBHPGDL3MBTL1
SCHEMBL4103751 0.78 KDM4E (0.51) MAPTKDM4EPOLBHPGDL3MBTL1
SCHEMBL8855455 0.73 MAPT (0.51) MAPTKDM4EPOLBHPGDL3MBTL1
SCHEMBL8855590 0.72 MAPT (0.50) MAPTKDM4EPOLBHPGDL3MBTL1
SCHEMBL8855451 0.71 KDM4E (0.51) MAPTKDM4EPOLBHPGDL3MBTL1
SCHEMBL8855594 0.70 MAPT (0.50) MAPTKDM4EPOLBHPGDL3MBTL1
SCHEMBL8698945 0.70 MAPT (0.34) MAPTKDM4EPOLBHPGDL3MBTL1
SCHEMBL8855614 0.68 MAPT (0.52) MAPTKDM4EPOLBHPGDGAA
SCHEMBL11644077 0.67 MAPT (0.51) MAPTKDM4EPOLBHPGDGAA
SCHEMBL8855484 0.67 MAPT (0.51) MAPTKDM4EPOLBHPGDGAA

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-2009063240-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF AURORA KINASE ARROW THERAPEUTICS LIMITED (GB) 2009-05-22 WO disclosed