SCHEMBL796980

SCHEMBL796980

COC1CCN(c2nc(-c3nc(N)nc(Nc4cccc(F)c4)n3)no2)CC1.Nc1nc(Nc2cccc(F)c2)nc(-c2noc(N3CCCCC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
SCN9A Q15858 1/20 0.37
ADORA2A P29274 1/20 0.37
LMNA P02545 3/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
SYK P43405 1/20 0.37
ALOX5AP P20292 1/20 0.36
RAB9A P51151 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL10287292 0.96 MEN1 (0.41) MEN1KMT2AMAPTPOLBTP53
SCHEMBL10287200 0.90 MAPK1 (0.43) MEN1KMT2AMAPTPOLBTP53
SCHEMBL796373 0.87 MAPT (0.42) MEN1KMT2AMAPTPOLBTP53
SCHEMBL796310 0.85 MAPT (0.42) MEN1KMT2AMAPTADORA2AALOX15
SCHEMBL794305 0.78 KDM4E (0.53) MEN1KMT2AMAPTLMNAALOX15
SCHEMBL15477225 0.75 MAPT (0.50) MEN1KMT2AMAPTLMNAALOX15
SCHEMBL795967 0.75 NTRK1 (0.43) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL795592 0.73 CTSL (0.42) MEN1KMT2ATP53ALOX15TSHR
SCHEMBL795741 0.72 SMN1; SMN2 (0.43) MEN1KMT2AMAPTPOLBTP53
SCHEMBL796263 0.71 SMN1; SMN2 (0.42) MEN1KMT2AMAPTLMNAALOX15

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