SCHEMBL10220573

SCHEMBL10220573

NNC(=O)C1=CC(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)CS1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 20/20 0.46

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
SCHEMBL10220572 0.88 MAP3K5 (0.47) MAP3K5
SCHEMBL10222463 0.79 MAP3K5 (0.63) MAP3K5
SCHEMBL232606 0.78 MAP3K5 (0.55) MAP3K5
SCHEMBL10222555 0.76 ALDH1A1 (0.40) —
SCHEMBL21461157 0.75 MAP3K5 (0.52) MAP3K5
SCHEMBL235293 0.73 MAP3K5 (0.52) MAP3K5
SCHEMBL28668610 0.72 MAP3K5 (0.53) MAP3K5
Hydrochloric Acid SCHEMBL28657089 0.72 MAP3K5 (0.51) MAP3K5
SCHEMBL21461103 0.72 MAP3K5 (0.52) MAP3K5
SCHEMBL230744 0.70 MAP3K5 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 — — WO disclosed
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