SCHEMBL20725873

SCHEMBL20725873

O=c1[nH]ccc2cc(F)c(NSc3ccc(C4=CCC(O)C4)s3)cc12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATIC P31939 13/20 0.43
ROCK2 O75116 7/20 0.32

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
SCHEMBL20725822 0.91 ATIC (0.44) ATICROCK2
SCHEMBL17801462 0.81 ATIC (0.64) ATICROCK2
SCHEMBL20725855 0.77 ATIC (0.46) ATICROCK2
SCHEMBL20725771 0.77 ATIC (0.46) ATICROCK2
SCHEMBL20725845 0.77 ATIC (0.60) ATICROCK2
SCHEMBL20725823 0.76 ATIC (0.44) ATICROCK2
SCHEMBL20725851 0.76 ATIC (0.69) ATICROCK2
SCHEMBL20725872 0.76 ATIC (0.69) ATICROCK2
SCHEMBL20725749 0.74 ATIC (0.69) ATICROCK2
SCHEMBL20725764 0.73 ATIC (0.69) ATICROCK2

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-3227279-B1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS LILLY CO ELI (US) 2019-02-13 EP disclosed