SCHEMBL22239739

SCHEMBL22239739

O=C(NC1CC1)c1ccc2c(c1)N(C(=O)Nc1cc(-c3cnco3)ccn1)[C@H]1CCN2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.43
▸ WNT1 P04628 14/20 0.43
▸ GSK3B P49841 13/20 0.43
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ PIK3C3 Q8NEB9 2/20 0.38
▸ RPS6KB1 P23443 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ SMO Q99835 1/20 0.35

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
SCHEMBL19714022 0.86 DYRK1A (0.41) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17768270 0.80 DYRK1A (0.43) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17767959 0.77 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17618869 0.77 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19714027 0.76 DYRK1A (0.39) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17618859 0.75 DYRK1A (0.40) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19714327 0.75 DYRK1A (0.41) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19699109 0.75 DYRK1A (0.39) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17778891 0.75 DYRK1A (0.40) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19714065 0.74 DYRK1A (0.40) DYRK1AWNT1GSK3BCLK2CLK3

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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