SCHEMBL18403279

SCHEMBL18403279

Nc1ncc(-c2cc([C@@]34C5[C@H]3[C@H]4CN5C3COC3)n(C3CCCC3)n2)cc1OC(F)F

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.62

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
SCHEMBL18403349 1.00 MAP3K12 (0.62) MAP3K12
SCHEMBL19937606 0.98 MAP3K12 (0.62) MAP3K12
SCHEMBL18403211 0.98 MAP3K12 (0.62) MAP3K12
SCHEMBL19937999 0.89 MAP3K12 (0.60) MAP3K12
SCHEMBL19939288 0.89 MAP3K12 (0.60) MAP3K12
SCHEMBL19937877 0.88 MAP3K12 (0.60) MAP3K12
SCHEMBL19937986 0.87 MAP3K12 (0.65) MAP3K12
SCHEMBL18685601 0.87 MAP3K12 (0.60) MAP3K12
SCHEMBL18403367 0.87 MAP3K12 (0.60) MAP3K12
SCHEMBL18403297 0.86 MAP3K12 (0.61) 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
US-9550777-B2 3-substituted pyrazoles and use as DLK inhibitors GENENTECH, INC. (US) 2017-01-24 US disclosed