SCHEMBL19937987

SCHEMBL19937987

Nc1ncc(-c2ccn(CC3CCC3)n2)cc1OC(F)F

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.56

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
SCHEMBL19937750 0.96 MAP3K12 (0.55) MAP3K12
SCHEMBL19937609 0.81 INSR (0.54) MAP3K12
SCHEMBL19937780 0.81 MAP3K12 (0.52) MAP3K12
SCHEMBL19937864 0.81 MAP3K12 (0.52) MAP3K12
SCHEMBL19937777 0.79 INSR (0.54) MAP3K12
SCHEMBL19937631 0.79 MAP3K12 (0.54) MAP3K12
SCHEMBL16853434 0.76 MAP3K12 (0.76) MAP3K12
SCHEMBL19937851 0.76 MAP3K12 (0.51) MAP3K12
SCHEMBL19937617 0.75 MAP3K12 (0.50) MAP3K12
SCHEMBL19937665 0.74 MAP3K12 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP disclosed