SCHEMBL876038

SCHEMBL876038

N#Cc1cccc(Cl)c1CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 2/20 0.37
TERT O14746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SLC22A12 Q96S37 2/20 0.34
PDK2 Q15119 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9901598 0.80 MPO (0.38) ARKDM4EALDH1A1HPGDMAPT
SCHEMBL12490650 0.76 DYRK1A (0.41) ARDYRK1AKDM4EALDH1A1HPGD
SCHEMBL21484251 0.76 TAAR1 (0.47) ARDYRK1AKDM4EALDH1A1HPGD
SCHEMBL16587420 0.76 DYRK1A (0.41) DYRK1AKDM4EALDH1A1HPGDGAA
SCHEMBL3228933 0.76 DYRK1A (0.41) DYRK1AKDM4EALDH1A1HPGDGAA
SCHEMBL4145151 0.76 DYRK1A (0.41) DYRK1AKDM4EALDH1A1HPGDGAA
Bromide SCHEMBL25374489 0.74 DYRK1A (0.40) DYRK1AKDM4EALDH1A1HPGDGAA
SCHEMBL27635788 0.73 TAAR1 (0.57) KDM4EGAANPSR1MAPTMEN1
SCHEMBL25483123 0.73 TAAR1 (0.39) DYRK1AKDM4EALDH1A1HPGDGAA
SCHEMBL28024929 0.72 AR (0.45) ARDYRK1AKDM4EALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed