SCHEMBL12066469

SCHEMBL12066469

CNS(=O)(=O)c1ccc(N2CCC(O)CC2)c(Nc2ncnc3[nH]nc(-c4ccoc4)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 18/20 0.53
BRAF P15056 10/20 0.53
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9986489 0.93 TNNI3K (0.52) TNNI3KBRAFWDR5KMT2A
SCHEMBL9985623 0.91 TNNI3K (0.48) TNNI3KBRAFWDR5KMT2A
SCHEMBL12065843 0.89 TNNI3K (0.48) TNNI3KBRAFWDR5KMT2A
SCHEMBL12065858 0.86 TNNI3K (0.62) TNNI3KBRAF
SCHEMBL12066380 0.84 TNNI3K (0.61) TNNI3KBRAF
SCHEMBL9985744 0.81 TNNI3K (0.39) TNNI3KBRAF
SCHEMBL12067895 0.81 TNNI3K (0.55) TNNI3KBRAF
SCHEMBL12066375 0.80 TNNI3K (0.59) TNNI3KBRAF
SCHEMBL9986084 0.80 TNNI3K (0.67) TNNI3KBRAF
SCHEMBL12065551 0.79 TNNI3K (0.44) TNNI3KBRAF

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-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed