SCHEMBL795651

SCHEMBL795651

Nc1nc(Nc2cccc(F)c2)nc(-c2noc(C(=O)N3CCOCC3)n2)n1.Nc1nc(Nc2ccccc2)nc(-c2noc(NC3CCCC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
BTK Q06187 2/20 0.39
NTRK1 P04629 2/20 0.38
MAP3K7 O43318 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL15477324 0.88 MAPK1 (0.49) MAPK1BTKNTRK1MAP3K7IRAK4
SCHEMBL795592 0.84 CTSL (0.42) MAPK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL795967 0.83 NTRK1 (0.43) MAPK1NTRK1MAP3K7IRAK4NPC1
SCHEMBL796014 0.80 NPC1 (0.44) NTRK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL807945 0.78 KMT2A (0.46) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL796061 0.78 GRM5 (0.43) NTRK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL796307 0.78 KDM4E (0.48) MAPK1BTKNPC1LMNARAB9A
SCHEMBL795945 0.78 KMT2A (0.47) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL795451 0.75 NAMPT (0.39) MAPK1NPC1RAB9A
SCHEMBL808334 0.75 MAP4K4 (0.42) MAPK1NTRK1NPC1RAB9ASMN1; SMN2

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