SCHEMBL19670259

SCHEMBL19670259

C/N=C/c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ DYRK1A Q13627 4/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ KARS1 Q15046 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ PIM3 Q86V86 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ NEK2 P51955 1/20 0.32
▸ PRKD1 Q15139 1/20 0.32

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
SCHEMBL19706066 1.00 FAAH (0.35) FAAHSIRT2DYRK1AGSK3BKARS1
SCHEMBL19365385 0.92 CNR2 (0.35) FAAHSIRT2DYRK1AGSK3BKMT2A
SCHEMBL19703416 0.92 CNR2 (0.35) FAAHSIRT2DYRK1AGSK3BKMT2A
SCHEMBL19365358 0.89 FAAH (0.35) FAAHGRM5PIM2PIM3
SCHEMBL19670387 0.89 HTR2C (0.38) FAAHPIM2PIM3
SCHEMBL19670254 0.87 NEK2 (0.34) DYRK1ANEK2
SCHEMBL19670391 0.87 NEK2 (0.34) DYRK1APIM2NEK2
SCHEMBL19706067 0.87 NEK2 (0.34) DYRK1APIM2NEK2
SCHEMBL19706030 0.87 SCD (0.37) —
SCHEMBL19365346 0.87 SCD (0.37) —

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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