SCHEMBL9985668

SCHEMBL9985668

CNS(=O)(=O)c1ccc(OC2CCC(C(F)(F)F)CC2)c(Nc2[nH]cnc3ncnc2-3)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 19/20 0.44
BRAF P15056 6/20 0.37

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
SCHEMBL9986144 0.89 TNNI3K (0.41) TNNI3KBRAF
SCHEMBL9986926 0.79 TNNI3K (0.49) TNNI3KBRAF
SCHEMBL9986382 0.79 TNNI3K (0.42) TNNI3KBRAF
SCHEMBL9985447 0.78 CDK2 (0.47) TNNI3K
SCHEMBL9985709 0.78 TNNI3K (0.45) TNNI3KBRAF
SCHEMBL9985716 0.78 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL9985735 0.78 TNNI3K (0.46) TNNI3KBRAF
SCHEMBL9985718 0.77 TNNI3K (0.61) TNNI3KBRAF
SCHEMBL9985780 0.77 TNNI3K (0.43) TNNI3KBRAF
SCHEMBL9986560 0.76 TNNI3K (0.51) 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