SCHEMBL29601353

SCHEMBL29601353

O=C(O)c1ccnc(Nc2nc(-c3ccccn3)cs2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.73
CSNK2B P67870 1/20 0.73
CSNK2A1 P68400 1/20 0.69
KCNN1 Q92952 2/20 0.67
KCNN2 Q9H2S1 2/20 0.67
KCNN3 Q9UGI6 2/20 0.67
MBD2 Q9UBB5 2/20 0.66
MECP2 P51608 1/20 0.66
SLC2A1 P11166 3/20 0.65
KDM4A O75164 3/20 0.62
KDM4B O94953 2/20 0.62
KDM5B Q9UGL1 2/20 0.62
KDM5C P41229 2/20 0.62
ADORA3 P0DMS8 5/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
NFKB1 P19838 2/20 0.59
PPP1CA P62136 2/20 0.59

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
SCHEMBL29078754 1.00 CSNK2A2 (0.73) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
Bromide SCHEMBL29601604 0.99 CSNK2A2 (0.71) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL24358066 0.89 KCNN1 (0.65) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL30518671 0.89 KCNN1 (0.65) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL24358259 0.86 KCNN1 (0.58) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL30745673 0.86 KCNN1 (0.58) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL24358136 0.85 KCNN1 (0.64) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL29601651 0.85 KCNN1 (0.64) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL27039795 0.85 KCNN1 (0.62) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2
SCHEMBL24358274 0.84 KCNN1 (0.56) CSNK2A2CSNK2BCSNK2A1KCNN1KCNN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed