SCHEMBL24046787

SCHEMBL24046787

C#Cc1cc(-c2cc(=O)c3c(C)cc(C)cc3o2)ccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 5/20 0.53
▸ CSNK2B P67870 5/20 0.53
▸ CSNK2A1 P68400 5/20 0.53
▸ ADORA3 P0DMS8 2/20 0.44
▸ POLB P06746 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TP53 P04637 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ AR P10275 3/20 0.39
▸ QPCT Q16769 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL24047002 0.88 MAPT (0.59) CSNK2A2CSNK2BCSNK2A1ADORA3POLB
SCHEMBL13479744 0.77 CSNK2A2 (0.64) CSNK2A2CSNK2BCSNK2A1ADORA3POLB
SCHEMBL24046902 0.76 TNKS (0.64) ADORA3POLBKMT2AALDH1A1TDP1
SCHEMBL24046794 0.74 MAOB (0.63) CSNK2A2CSNK2BCSNK2A1KMT2AALDH1A1
SCHEMBL28568538 0.73 CYP3A4 (0.72) CSNK2A2CSNK2BCSNK2A1ADORA3KMT2A
SCHEMBL20664412 0.71 ADORA3 (0.76) CSNK2A2CSNK2BCSNK2A1ADORA3POLB
SCHEMBL28914421 0.70 GABRP (0.57) CSNK2A2CSNK2BCSNK2A1ADORA3ALDH1A1
SCHEMBL28588026 0.68 CYP3A4 (0.62) CSNK2A2CSNK2BCSNK2A1ADORA3KMT2A
SCHEMBL28576015 0.68 CSNK2A2 (0.53) CSNK2A2CSNK2BCSNK2A1ADORA3KMT2A
SCHEMBL13598259 0.67 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1ADORA3POLB

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-2021236578-A1 CHROMEN-4-ONE DERIVATIVES, SUCH AS E.G. FLAVONES, FOR USE AS CK2 INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATION SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-11-25 — — WO disclosed
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