SCHEMBL21925684

SCHEMBL21925684

O=Cc1ccc(Nc2ccncn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.48
▸ MKNK2 Q9HBH9 2/20 0.44
▸ MPL P40238 7/20 0.41
▸ KDR P35968 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
SCHEMBL14843891 0.79 MKNK1 (0.49) MKNK1MKNK2MPLKDR
SCHEMBL28707674 0.79 MKNK1 (0.45) MKNK1MKNK2MPL
SCHEMBL21925661 0.77 RAD52 (0.54) —
SCHEMBL25190780 0.77 MEN1 (0.50) —
SCHEMBL4666187 0.77 RAD52 (0.59) MKNK1MKNK2MPLKDR
SCHEMBL30611577 0.77 MEN1 (0.56) MKNK1MKNK2MPL
SCHEMBL23859939 0.76 MKNK1 (0.48) MKNK1MKNK2MPLKDR
SCHEMBL27711726 0.76 KDM4E (0.49) KDR
SCHEMBL1323687 0.76 MAPT (0.53) MKNK1MPLKDR
SCHEMBL29866283 0.75 NPC1 (0.46) MKNK1MPLKDR

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-3649110-B1 MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS ANTITUBERCULOSIS DRUG UNIV DORTMUND TECH (DE) 2021-09-08 — — EP disclosed
EP-3649110-A1 MYOBACTERIUM TUBERCULOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS AN ANTITUBERCULAR AGENT Technische Universität Dortmund (DE) 2020-05-13 — — EP disclosed
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