SCHEMBL17631984

SCHEMBL17631984

N#CN(C(=O)C1CCNC1)c1nc2ccc(C3CC3)cc2s1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TLR9 Q9NR96 3/20 0.32
▸ TLR8 Q9NR97 3/20 0.32
▸ TLR7 Q9NYK1 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.31
▸ ITK Q08881 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL17632490 0.88 MAPT (0.43) DYRK1AALDH1A1MAPTTP53NPC1
SCHEMBL17632611 0.87 RAB9A (0.37) DYRK1AMAPTNPC1RAB9A
SCHEMBL17632621 0.85 ALDH1A1 (0.47) ALDH1A1MAPTTP53NPC1RAB9A
SCHEMBL17632229 0.84 CYP2D6 (0.42) DYRK1A
SCHEMBL17632020 0.84 MAPT (0.46) DYRK1AALDH1A1MAPTTP53ITK
SCHEMBL17632007 0.84 LIPG (0.41) ALDH1A1MAP4K1
SCHEMBL17631550 0.81 ABL1 (0.41) MAPTTP53MAP4K1ITK
SCHEMBL17632035 0.81 ABL1 (0.45) MAP4K1
SCHEMBL17632567 0.79 BRD4 (0.47) ALDH1A1MAP4K1
SCHEMBL17631887 0.78 USP30 (0.44) MAPTMAP4K1

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-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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