SCHEMBL4100990

SCHEMBL4100990

Nc1cc2nc(C(F)(F)F)[nH]c2cc1F.O=[N+]([O-])c1cc2nc(C(F)(F)F)[nH]c2c(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
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 3/20 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
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL4100989 0.87 MAPT (0.40) MAPTKDM4EHPGDPOLBGAA
SCHEMBL4103751 0.81 KDM4E (0.51) MAPTKDM4EHPGDPOLBGAA
SCHEMBL8855451 0.73 KDM4E (0.51) MAPTKDM4EHPGDPOLBGAA
SCHEMBL8855594 0.72 MAPT (0.50) MAPTKDM4EHPGDPOLBGAA
SCHEMBL8855455 0.71 MAPT (0.51) MAPTKDM4EHPGDPOLBGAA
SCHEMBL8855590 0.70 MAPT (0.50) MAPTKDM4EHPGDPOLBGAA
SCHEMBL8855624 0.68 MAPT (0.52) MAPTKDM4EHPGDPOLBGAA
SCHEMBL8855581 0.67 CHUK (0.41) MAPTKDM4EHPGDPOLBSMN1; SMN2
SCHEMBL8855487 0.67 MAPT (0.51) MAPTKDM4EHPGDPOLBGAA
SCHEMBL11186264 0.65 MAPT (0.38) MAPTKDM4EHPGDPOLBGAA

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