SCHEMBL6695848

SCHEMBL6695848

Cc1cc(C)n(-c2nnc3c(n2)[nH]c2ccc(F)cc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.46
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
PTK2B Q14289 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6689412 0.84 MAPT (0.56) POLBMAPTL3MBTL1NPC1RAB9A
SCHEMBL29506302 0.71 MEN1 (0.47) POLBMAPTL3MBTL1NPC1RAB9A
SCHEMBL28393245 0.71 MEN1 (0.47) POLBMAPTL3MBTL1NPC1RAB9A
SCHEMBL29506268 0.69 GAA (0.70) POLBMAPTL3MBTL1NPC1RAB9A
SCHEMBL3712068 0.66 RAB9A (0.67) POLBMAPTL3MBTL1NPC1RAB9A
SCHEMBL15573286 0.63 POLB (1.00) POLBMAPTMAPK1LMNANPSR1
SCHEMBL29111450 0.62 ACHE (0.54) POLBMAPTNPC1RAB9AMAPK1
SCHEMBL30646329 0.62 ACHE (0.54) POLBMAPTNPC1RAB9AMAPK1
SCHEMBL4138642 0.62 HTT (0.68) POLBMAPTL3MBTL1NPC1RAB9A
SCHEMBL19690945 0.62 POLB (0.63) POLBMAPTL3MBTL1HTTLMNA

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-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO claimed