SCHEMBL1698455

SCHEMBL1698455

NNC(=O)c1cc(NC(=O)c2ncccc2-n2cnc(C3CC3)c2)cs1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 16/20 0.42
▸ ABL1 P00519 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ AKT1 P31749 1/20 0.35

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
SCHEMBL232606 0.81 MAP3K5 (0.55) MAP3K5
SCHEMBL27912225 0.73 MYC (0.47) MAP3K5PDE10A
SCHEMBL1083047 0.72 MAP3K5 (0.72) MAP3K5
SCHEMBL230744 0.70 MAP3K5 (0.57) MAP3K5
SCHEMBL29949085 0.66 MAP3K5 (0.41) MAP3K5
SCHEMBL1698790 0.63 MAP3K5 (0.42) MAP3K5
SCHEMBL231811 0.63 ALDH1A1 (0.54) —
SCHEMBL28987763 0.62 MAP3K5 (0.37) MAP3K5
SCHEMBL10220573 0.62 MAP3K5 (0.46) MAP3K5
SCHEMBL28987796 0.61 GRM5 (0.39) MAP3K5AKT1

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
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