SCHEMBL18403226

SCHEMBL18403226

Nc1ncc(-c2cc([C@H]3C[C@@]34CCN(CC(F)(F)F)C4)n(C3COC3)n2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.69

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
SCHEMBL15889969 0.82 MAP3K12 (1.00) MAP3K12
SCHEMBL19921709 0.82 MAP3K12 (1.00) MAP3K12
SCHEMBL17388017 0.82 MAP3K12 (1.00) MAP3K12
SCHEMBL17388084 0.70 MAP3K12 (1.00) MAP3K12
SCHEMBL19921686 0.70 MAP3K12 (1.00) MAP3K12
SCHEMBL15890068 0.70 MAP3K12 (1.00) MAP3K12
SCHEMBL15882662 0.69 MAP3K12 (1.00) MAP3K12
SCHEMBL18403304 0.69 MAP3K12 (0.70) MAP3K12
SCHEMBL15882601 0.67 MAP3K12 (1.00) MAP3K12
SCHEMBL17388023 0.67 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 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