SCHEMBL17219954

SCHEMBL17219954

Nc1nc(Cl)nc(Nc2cccc(Cl)c2F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
LMNA P02545 1/20 0.48
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 4/20 0.42
NCOA1 Q15788 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
JAK2 O60674 1/20 0.41
TNF P01375 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM4 Q14833 1/20 0.39

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
SCHEMBL795933 0.88 TSHR (0.46) TSHRLMNARAB9AMAPTGAA
SCHEMBL17220066 0.85 RAB9A (0.51) TSHRRAB9AMAPTGAANPC1
SCHEMBL17220341 0.82 LMNA (0.43) TSHRLMNARAB9AMAPTGAA
SCHEMBL17220221 0.81 TSHR (0.53) TSHRLMNARAB9AMAPTNPC1
SCHEMBL796782 0.79 LMNA (0.40) TSHRLMNARAB9AMAPTGAA
SCHEMBL796781 0.79 LMNA (0.40) TSHRLMNARAB9AMAPTGAA
SCHEMBL796783 0.79 LMNA (0.40) TSHRLMNARAB9AMAPTGAA
Dyrene SCHEMBL2938800 0.78 TSHR (0.83) TSHRLMNARAB9AMAPTNPC1
SCHEMBL11802348 0.77 MAPT (0.68) TSHRLMNARAB9AMAPTNPC1
SCHEMBL14869761 0.75 TSHR (0.67) TSHRLMNARAB9AMAPTGAA

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
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed