SCHEMBL12065583

SCHEMBL12065583

CNS(=O)(=O)c1ccc2c(c1)N(c1ncnc3[nH]c(-c4cccc(C(F)(F)F)c4)cc13)CC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.60
▸ TNNI3K Q59H18 8/20 0.60
▸ KIT P10721 9/20 0.46
▸ NPY5R Q15761 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ RPS6KA4 O75676 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ RPS6KA2 Q15349 1/20 0.39
▸ RPS6KA1 Q15418 1/20 0.39
▸ RPS6KB2 Q9UBS0 1/20 0.39
▸ RPS6KA6 Q9UK32 1/20 0.39

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
SCHEMBL9986093 0.79 BRAF (0.41) BRAFTNNI3KNPY5RUSP2LMNA
SCHEMBL12065588 0.75 TNNI3K (1.00) BRAFTNNI3KLMNASMN1; SMN2
SCHEMBL12067164 0.75 TNNI3K (1.00) BRAFTNNI3K
SCHEMBL12065587 0.73 TNNI3K (0.78) BRAFTNNI3K
SCHEMBL12065842 0.73 TNNI3K (0.77) BRAFTNNI3KKIT
SCHEMBL12065586 0.73 TNNI3K (1.00) BRAFTNNI3K
SCHEMBL12065592 0.71 TNNI3K (0.52) BRAFTNNI3KKIT
SCHEMBL12067156 0.70 TNNI3K (0.43) BRAFTNNI3K
SCHEMBL12517826 0.69 TNNI3K (0.58) TNNI3K
SCHEMBL12065795 0.67 BRAF (0.53) BRAFTNNI3KKITNPY5RPKM

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
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