SCHEMBL22253223

SCHEMBL22253223

C=C=CC(=C)c1ccc2cnc(NC(=O)c3ccc(OC4CCN(C)CC4)cc3)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.66
GSK3B P49841 17/20 0.66
WNT1 P04628 13/20 0.66
CLK2 P49760 2/20 0.66
CLK3 P49761 2/20 0.66

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
SCHEMBL23916797 0.81 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546947 0.80 DYRK1A (0.63) DYRK1AGSK3BWNT1
SCHEMBL19546982 0.80 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916618 0.79 DYRK1A (0.53) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516547 0.79 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540434 0.78 GSK3B (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540328 0.78 DYRK1A (0.84) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048710 0.77 DYRK1A (0.72) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516983 0.77 GSK3B (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20949161 0.76 DYRK1A (0.81) DYRK1AGSK3BWNT1CLK2CLK3

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
WO-2020150552-A2 METHODS OF TREATING CARTILAGE DISORDERS THROUGH INHIBITION OF CLK AND DYRK SAMUMED, LLC (US) 2020-07-23 WO disclosed