SCHEMBL21568829

SCHEMBL21568829

N#Cc1ccc2nc(NC(=O)CNc3cccc(-c4ccc(F)cc4)c3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.52
▸ WNT3A P56704 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CDK3 Q00526 2/20 0.47
▸ MGLL Q99685 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ PIK3CG P48736 2/20 0.45
▸ ABL1 P00519 3/20 0.44
▸ PTGES O14684 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ RIPK3 Q9Y572 1/20 0.43
▸ CSNK1D P48730 1/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL21568288 0.87 DYRK1A (0.55) DYRK1APIK3CGABL1GSK3BPDPK1
SCHEMBL23256896 0.77 DYRK1A (0.58) DYRK1APIK3CGABL1GSK3B
SCHEMBL21568046 0.75 GSK3B (0.65) DYRK1AWNT3AABL1GSK3BRIPK1
SCHEMBL23256882 0.74 DYRK1A (0.58) DYRK1AADORA2AADORA1PDPK1
SCHEMBL13718453 0.73 DYRK1A (0.74) DYRK1APIK3CGABL1GSK3BCSNK1D
SCHEMBL23256883 0.73 DYRK1A (0.66) DYRK1AGSK3BCSNK1D
SCHEMBL21569113 0.72 CSNK1D (0.54) DYRK1AMGLLCSNK1D
SCHEMBL23256870 0.72 DYRK1A (0.70) DYRK1AGSK3BCSNK1D
SCHEMBL21568692 0.70 DYRK1A (1.00) DYRK1APIK3CGGSK3BADORA1CSNK1D
SCHEMBL6067966 0.70 DYRK1A (0.76) DYRK1APIK3CGABL1GSK3BADORA2A

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-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — WO disclosed
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