SCHEMBL25959445

SCHEMBL25959445

CSCNc1cc(C#N)ncc1C(=N)Br

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.34
CHEK2 O96017 3/20 0.33

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
SCHEMBL25959188 0.82
SCHEMBL25958325 0.80 TNF (0.34) CHEK1
SCHEMBL25959437 0.79 IRAK4 (0.39) CHEK1
SCHEMBL25960867 0.78
SCHEMBL25960825 0.77 KDM4E (0.39)
SCHEMBL25960505 0.76 JAK3 (0.32)
SCHEMBL25960693 0.75 MAPK1 (0.35) CHEK1
SCHEMBL25960141 0.74 KDM4C (0.33) CHEK1
SCHEMBL25960881 0.73 PCSK9 (0.34)
SCHEMBL25958323 0.70 EGLN2 (0.33) CHEK1

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-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed