SCHEMBL19670534

SCHEMBL19670534

C=CN(C(=O)NCCCn1ccnc1C)c1nc(-c2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ ITGB3 P05106 11/20 0.35
▸ ITGA2B P08514 11/20 0.35
▸ KMO O15229 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL19365391 0.86 DGAT2 (0.42) DGAT2TLR8PIK3CDPIK3CAPIK3CG
SCHEMBL19670322 0.82 MAPK1 (0.38) ITGB3ITGA2BKMOEPHB4NAMPT
SCHEMBL19670398 0.81 CTSK (0.38) PIK3CDPIK3CAPIK3CGITGB3ITGA2B
SCHEMBL19365753 0.81 CA12 (0.41) ITGB3ITGA2BKMO
SCHEMBL19365617 0.80 KMO (0.39) PIK3CDPIK3CAPIK3CGKMOEGFR
SCHEMBL19670450 0.78 MEN1 (0.41) PIK3CDPIK3CAPIK3CGEPHB4NAMPT
SCHEMBL19706034 0.73 ALDH1A1 (0.39) PIK3CDPIK3CAPIK3CGKMO
SCHEMBL19365656 0.71 MAPK1 (0.42) TLR8ITGB3ITGA2BNAMPT
SCHEMBL16776336 0.71 DGAT2 (0.44) DGAT2TLR8ITGB3ITGA2BKMO
SCHEMBL19670382 0.71 NPY5R (0.42) PIK3CDPIK3CAPIK3CGEPHB4

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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