SCHEMBL19921671

SCHEMBL19921671

CC1(Cn2nc(-c3cnc(N)c(Cl)c3)cc2[C@@H]2[C@@H]3CN(CC(F)(F)F)C[C@@H]32)COC1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.65

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
SCHEMBL17387976 1.00 MAP3K12 (0.65) MAP3K12
SCHEMBL15889973 1.00 MAP3K12 (0.65) MAP3K12
SCHEMBL19921709 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL17388017 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL15889969 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL15890007 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL19921684 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL17388068 0.79 MAP3K12 (1.00) MAP3K12
SCHEMBL17388084 0.78 MAP3K12 (1.00) MAP3K12
SCHEMBL19921686 0.78 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
EP-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP claimed