SCHEMBL16211561

SCHEMBL16211561

Nc1ncc(-c2cc(C3CCN(C(=O)O)CC3)nc(C3CC3)n2)cc1OC(F)F

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.71

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
SCHEMBL31674943 0.88 MAP3K12 (0.65) MAP3K12
SCHEMBL16224474 0.88 MAP3K12 (0.65) MAP3K12
SCHEMBL20147243 0.84 MAP3K12 (0.72) MAP3K12
SCHEMBL16211571 0.83 MAP3K12 (1.00) MAP3K12
SCHEMBL31674918 0.83 MAP3K12 (1.00) MAP3K12
SCHEMBL20147272 0.83 MAP3K12 (0.78) MAP3K12
SCHEMBL16211711 0.82 MAP3K12 (0.69) MAP3K12
SCHEMBL16216918 0.81 MAP3K12 (1.00) MAP3K12
SCHEMBL16210487 0.81 MAP3K12 (1.00) MAP3K12
SCHEMBL16224589 0.81 MAP3K12 (1.00) MAP3K12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991978-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche SA (CH) 2016-03-09 EP disclosed
WO-2014177060-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed