SCHEMBL22421146

SCHEMBL22421146

CC(C)N1CCn2ncc(NO)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 2/20 0.40
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31

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
SCHEMBL20939184 0.78 MAP3K14 (0.33) MAP3K14
SCHEMBL23005491 0.78 MAP3K14 (0.33) MAP3K14
SCHEMBL20939543 0.77 MAP3K14 (0.33) MAP3K14
SCHEMBL22421149 0.75 MAP3K14 (0.39) MAP3K14
SCHEMBL20939798 0.69 MAP3K14 (0.34) MAP3K14
SCHEMBL20828220 0.66 ALOX5 (0.41) MAP3K14POLBGAAALOX5ALOX5AP
SCHEMBL22421148 0.65 ALDH1A1 (0.33) MAP3K14
SCHEMBL18215107 0.65 ALOX5 (0.40) MAP3K14POLBGAAALOX5ALOX5AP
SCHEMBL23005401 0.64 MAP3K14 (0.31) MAP3K14
SCHEMBL22017463 0.64 ALDH1A1 (0.37) GAA

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-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 — — EP disclosed
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