SCHEMBL1698521

SCHEMBL1698521

CC(C)OC(=O)c1cc(-n2cc(C3CC3)nc2S)ccc1F.CC(C)OC(=O)c1cc(-n2cnc(C3CC3)c2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.38
MAP3K6 O95382 1/20 0.38

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
SCHEMBL230868 0.93 MAPT (0.36) MAP3K5MAP3K6
SCHEMBL232070 0.91 MAP3K5 (0.41) MAP3K5MAP3K6
SCHEMBL28657005 0.82 ALDH1A1 (0.41) MAP3K5
SCHEMBL28663394 0.80 MAP3K5 (0.46) MAP3K5MAP3K6
SCHEMBL233653 0.78 MAP3K5 (0.44) MAP3K5
SCHEMBL233897 0.75 MAP3K5 (0.44) MAP3K5MAP3K6
SCHEMBL28653523 0.74 MAP3K5 (0.43) MAP3K5
SCHEMBL10222850 0.72 MAP3K5 (0.42) MAP3K5MAP3K6
SCHEMBL28649130 0.68 GRM5 (0.45) MAP3K5
SCHEMBL28538145 0.68 MAP3K5 (0.41) MAP3K5

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-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed