SCHEMBL795054

SCHEMBL795054

NC(=NO)c1ncnc(Nc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.55
AURKA O14965 4/20 0.41
MAPT P10636 3/20 0.41
CDK2 P24941 3/20 0.41
PIM1 P11309 2/20 0.41
PDPK1 O15530 2/20 0.41
CDK1 P06493 2/20 0.41
LYN P07948 2/20 0.41
FGFR1 P11362 2/20 0.41
FGFR3 P22607 2/20 0.41
RPS6KB1 P23443 2/20 0.41
MARK3 P27448 2/20 0.41
RAB9A P51151 2/20 0.41
BLK P51451 2/20 0.41
RPS6KA3 P51812 2/20 0.41
ERBB4 Q15303 2/20 0.41
MARK2 Q7KZI7 2/20 0.41
PLK3 Q9H4B4 2/20 0.41
MAPK1 P28482 2/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL1193541 0.81 BCL6 (0.58) BCL6AURKAMAPTCDK2PIM1
SCHEMBL796547 0.79 NPC1 (0.50) BCL6MAPTRAB9AMAPK1NPC1
SCHEMBL796545 0.79 NPC1 (0.50) BCL6MAPTRAB9AMAPK1NPC1
SCHEMBL824411 0.76 BCL6 (0.74) BCL6AURKAMAPTCDK2PIM1
SCHEMBL8908340 0.72 GAA (0.71) BCL6AURKAMAPTCDK2PIM1
SCHEMBL5137042 0.72 BCL6 (0.62) BCL6AURKAMAPTCDK2PIM1
Amanozine SCHEMBL689928 0.72 BCL6 (1.00) BCL6AURKAMAPTCDK2PIM1
Amanozine SCHEMBL30264199 0.72 BCL6 (1.00) BCL6AURKAMAPTCDK2PIM1
SCHEMBL14972606 0.70 BCL6 (0.71) BCL6AURKAMAPTCDK2PIM1
Amanozine SCHEMBL2490900 0.70 BCL6 (0.96) BCL6AURKAMAPTCDK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed