SCHEMBL17632229

SCHEMBL17632229

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.42
▸ CSNK1D P48730 10/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ACP1 P24666 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34

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 0.86 MAPT (0.43) CYP2D6DYRK1A
SCHEMBL17632611 0.85 RAB9A (0.37) CYP2D6DYRK1APPARA
SCHEMBL17631984 0.84 DYRK1A (0.33) DYRK1A
SCHEMBL17632621 0.83 ALDH1A1 (0.47) USP30
SCHEMBL17632007 0.82 LIPG (0.41) —
SCHEMBL17632020 0.82 MAPT (0.46) DYRK1AUSP30
SCHEMBL17631550 0.79 ABL1 (0.41) —
SCHEMBL17632035 0.79 ABL1 (0.45) —
SCHEMBL17632415 0.78 CHEK1 (0.41) DYRK1ASLC6A4USP30
SCHEMBL17632567 0.77 BRD4 (0.47) USP30

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 claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
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