SCHEMBL2790482

SCHEMBL2790482

O=C(O)NCc1ccc(C(=O)Nc2nc3cccc(-c4ccoc4)n3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.76
JAK2 O60674 12/20 0.55
JAK1 P23458 8/20 0.47
JAK3 P52333 3/20 0.44
TYK2 P29597 1/20 0.43

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
SCHEMBL2772932 0.87 MAP3K5 (1.00) MAP3K5JAK2JAK1
SCHEMBL2790312 0.87 MAP3K5 (0.65) MAP3K5JAK2JAK1JAK3
SCHEMBL2787002 0.86 MAP3K5 (0.89) MAP3K5JAK2JAK1TYK2
SCHEMBL2788527 0.85 MAP3K5 (0.73) MAP3K5JAK2JAK1JAK3
SCHEMBL2789856 0.84 MAP3K5 (0.71) MAP3K5JAK2JAK1JAK3
SCHEMBL2788079 0.83 MAP3K5 (0.85) MAP3K5JAK2JAK1
SCHEMBL2788369 0.83 MAP3K5 (0.83) MAP3K5JAK2JAK1TYK2
SCHEMBL3013739 0.83 MAP3K5 (0.69) MAP3K5JAK2JAK1JAK3
SCHEMBL2787590 0.82 MAP3K5 (0.78) MAP3K5JAK2JAK1JAK3
SCHEMBL2787856 0.81 MAP3K5 (0.77) MAP3K5JAK2JAK1JAK3TYK2

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-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO disclosed