SCHEMBL20017352

SCHEMBL20017352

N/C(=N\N=C(/N)c1ccc(N)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.47
GRIN2B Q13224 3/20 0.45
GRIN1 Q05586 2/20 0.45
MASP2 O00187 1/20 0.44
PLAU P00749 1/20 0.44
THPO P40225 1/20 0.44
TSHR P16473 2/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 3/20 0.43
F2 P00734 2/20 0.43
HTT P42858 1/20 0.43
PRSS1 P07477 1/20 0.43
APEX1 P27695 1/20 0.43
PRSS3 P35030 1/20 0.43
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL21553910 0.91 PLAU (0.52) MEN1KMT2APOLBMASP2PLAU
SCHEMBL18938347 0.88 KMT2A (0.61) MEN1KMT2APOLBGRIN2BGRIN1
SCHEMBL18891443 0.81 PBRM1 (0.55) MEN1KMT2APOLBGRIN2BGRIN1
SCHEMBL24022828 0.80 NPC1 (0.61) MEN1KMT2APOLBGRIN2BGRIN1
SCHEMBL22044257 0.80 CYP2D6 (0.66) MEN1KMT2APOLBGRIN2BGRIN1
SCHEMBL31099419 0.79 NPFFR1 (0.50) MEN1KMT2AMASP2PLAUTHPO
SCHEMBL6967013 0.78 MEN1 (0.76) MEN1KMT2APOLBGRIN2BGRIN1
SCHEMBL6649650 0.78 POLB (0.49) MEN1KMT2APOLBTSHRRAB9A
SCHEMBL6791698 0.78 POLB (0.49) MEN1KMT2APOLBTSHRRAB9A
SCHEMBL24689825 0.77 KMT2A (0.45) MEN1KMT2APOLBGRIN2BGRIN1

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
US-9931408-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2018-04-03 US disclosed