SCHEMBL18403243

SCHEMBL18403243

CC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1[C@@]12C3[C@H]1[C@H]2CN3C1COC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 19/20 0.60
ALOX5AP P20292 1/20 0.41

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
SCHEMBL18403366 0.87 MAP3K12 (0.58) MAP3K12
SCHEMBL18403216 0.86 MAP3K12 (0.60) MAP3K12
SCHEMBL19937676 0.85 MAP3K12 (0.59) MAP3K12
SCHEMBL18685619 0.85 MAP3K12 (0.61) MAP3K12
SCHEMBL18403358 0.85 MAP3K12 (0.61) MAP3K12
SCHEMBL19937587 0.85 MAP3K12 (0.60) MAP3K12
SCHEMBL18403196 0.85 MAP3K12 (0.60) MAP3K12ALOX5AP
SCHEMBL18403217 0.85 MAP3K12 (0.60) MAP3K12ALOX5AP
SCHEMBL18403280 0.85 MAP3K12 (0.64) MAP3K12
SCHEMBL18403297 0.83 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 2 patents. 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
US-9550777-B2 3-substituted pyrazoles and use as DLK inhibitors GENENTECH, INC. (US) 2017-01-24 US disclosed