SCHEMBL17631911

SCHEMBL17631911

N#CN(C(=O)[C@@H]1CCNC1)c1ncc(N2CCOCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.45
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ FFAR2 O15552 1/20 0.33
▸ PBK Q96KB5 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ AR P10275 1/20 0.32
▸ PLAT P00750 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 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
SCHEMBL17631706 0.86 GAA (0.36) UCHL1PLATKDM1A
SCHEMBL17631555 0.83 USP30 (0.33) UCHL1CHRM4CDK9
SCHEMBL17632104 0.82 SLC6A2 (0.33) JAK2JAK3CDK9
SCHEMBL17631689 0.79 SMN1; SMN2 (0.35) KDM1ACDK9
SCHEMBL17632274 0.78 JAK2 (0.43) UCHL1JAK2JAK3POLBIDH1
SCHEMBL17632085 0.76 CDK9 (0.36) CDK9
SCHEMBL17631612 0.76 — —
SCHEMBL17632075 0.75 POLB (0.35) POLBPIK3CD
SCHEMBL17632036 0.74 USP30 (0.50) UCHL1
SCHEMBL17631923 0.74 UCHL1 (0.50) UCHL1POLB

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

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