SCHEMBL19670206

SCHEMBL19670206

C[C@@H]1CCN(C)c2ccc(-c3ccnc(N4CCC(F)(F)C4)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.34
▸ KARS1 Q15046 2/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ WNT1 P04628 2/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ MAP3K12 Q12852 5/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ DLK1 P80370 2/20 0.32
▸ DRG1 Q9Y295 1/20 0.32
▸ SCN10A Q9Y5Y9 2/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ TRPV3 Q8NET8 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
SCHEMBL19670356 0.89 MAP3K12 (0.34) DYRK1AGSK3BWNT1MAP3K12DLK1
SCHEMBL19365545 0.88 TEK (0.32) DYRK1AGSK3BSCN10ATRPV3
SCHEMBL19670360 0.87 KARS1 (0.40) DYRK1AKARS1GSK3BWNT1MAP3K12
SCHEMBL19669049 0.86 ACACB (0.34) DYRK1AKARS1KLKB1KLK1MAP3K12
SCHEMBL19670010 0.85 CLK2 (0.34) DYRK1AKARS1MAP3K12SCN10ACLK2
SCHEMBL19365752 0.85 WNT3A (0.37) DYRK1AGSK3B
SCHEMBL19670226 0.85 CNR2 (0.38) DYRK1AKARS1GSK3BWNT1MAP3K12
SCHEMBL19670334 0.82 FGFR4 (0.36) DYRK1AGSK3BWNT1MAP3K12DLK1
SCHEMBL19365369 0.81 GSK3B (0.38) DYRK1AGSK3BCLK2CLK3
SCHEMBL19670514 0.79 KARS1 (0.34) DYRK1AKARS1KLKB1KLK1TRPV3

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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