SCHEMBL17970186

SCHEMBL17970186

Cn1cc(Nc2nccc(-c3cnc(N)c(C#N)c3)n2)cn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.61
JAK2 O60674 2/20 0.58
JAK1 P23458 2/20 0.58
TYK2 P29597 2/20 0.58
JAK3 P52333 2/20 0.58
STAT3 P40763 1/20 0.58
TBK1 Q9UHD2 15/20 0.51
IKBKE Q14164 13/20 0.51

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
SCHEMBL27228439 0.85 JAK2 (0.54) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL23281920 0.84 JAK2 (0.53) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL29713621 0.81 JAK2 (0.57) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL23275803 0.81 JAK2 (0.57) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL23281915 0.81 JAK2 (0.59) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL459048 0.81 TBK1 (0.73) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL17387774 0.80 JAK2 (0.55) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL15974620 0.80 MAP3K14 (0.53) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL15974622 0.80 MAP3K14 (0.53) MAP3K14JAK2JAK1TYK2JAK3
SCHEMBL17403594 0.79 MAP3K14 (0.54) MAP3K14JAK2JAK1TYK2JAK3

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-2958910-B1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LTD (GB) 2016-08-03 EP disclosed