SCHEMBL19670226

SCHEMBL19670226

C[C@@H]1CCN(C)c2ccc(-c3ccnc(N4CCC(F)(F)C4)c3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.38
▸ DYRK1A Q13627 3/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ MAP3K12 Q12852 10/20 0.35
▸ DLK1 P80370 2/20 0.35
▸ DRG1 Q9Y295 1/20 0.35
▸ KARS1 Q15046 3/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ WNT1 P04628 1/20 0.33
▸ NAPEPLD Q6IQ20 1/20 0.33

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 0.91 MAP3K12 (0.34) CNR2DYRK1AGSK3BMAP3K12DLK1
SCHEMBL19670360 0.91 KARS1 (0.40) DYRK1AGSK3BMAP3K12DLK1DRG1
SCHEMBL19365756 0.90 VCP (0.38) CNR2DYRK1AGSK3BMAP3K12DLK1
SCHEMBL19670498 0.87 KARS1 (0.41) DYRK1AGSK3BKARS1TRPV1
SCHEMBL19670334 0.87 FGFR4 (0.36) DYRK1AGSK3BMAP3K12DLK1DRG1
SCHEMBL19670623 0.85 KARS1 (0.38) DYRK1AGSK3BMAP3K12KARS1TRPV1
SCHEMBL19361179 0.85 CNR2 (0.36) CNR2MAP3K12DLK1DRG1KARS1
SCHEMBL19670206 0.85 DYRK1A (0.34) CNR2DYRK1AGSK3BMAP3K12DLK1
SCHEMBL19365276 0.84 WNT3A (0.41) DYRK1AGSK3BTRPV1
SCHEMBL19670375 0.83 TRPV1 (0.41) DYRK1AGSK3BTRPV1

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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