SCHEMBL9155654

SCHEMBL9155654

CNc1nc(OC)nc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
PDE4A P27815 2/20 0.40
PDE7A Q13946 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CFTR P13569 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 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
SCHEMBL9190006 0.82 MEN1 (0.36) LMNAPDE4AMEN1KMT2ATDP1
SCHEMBL33148 0.80 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2LMNAMAPTPDE4A
SCHEMBL33144 0.80 MAPK1 (0.52) MAPK1SMN1; SMN2LMNAMAPTPDE4A
SCHEMBL9188618 0.79 LMNA (0.34) LMNAPDE4AMEN1KMT2ATDP1
SCHEMBL3290526 0.79 MAPT (0.35) MAPK1LMNAMAPTMEN1KMT2A
SCHEMBL9197498 0.76 MAPK1 (0.42) MAPK1SMN1; SMN2LMNAMAPTPDE4A
SCHEMBL13012211 0.75 GAA (0.37) HSD17B10
SCHEMBL5998835 0.73 LMNA (0.41) MAPK1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL9199029 0.73 MAPK1 (0.41) MAPK1SMN1; SMN2LMNAMAPTPDE4A
SCHEMBL2245306 0.72 GAA (0.55) MAPK1SMN1; SMN2LMNAMAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482477-B1 Process for the preparation of 6-trifluoromethyl-1,3,5-triazines BASF AG (DE) 1995-01-11 EP disclosed
US-5130428-A Reacting trichloroacetamidinoguanidines with trifluoracetic acid derivatives and then with an alcohol or thiol BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0482477-A1 Process for the preparation of 6-trifluoromethyl-1,3,5-triazines BASF Aktiengesellschaft (DE) 1992-04-29 EP disclosed