SCHEMBL17632283

SCHEMBL17632283

N#CN(C(=O)[C@H]1CCNC1)c1cc(-c2ccnc(N)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.38
▸ MKNK2 Q9HBH9 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ TLR9 Q9NR96 5/20 0.34
▸ TLR8 Q9NR97 5/20 0.34
▸ TLR7 Q9NYK1 5/20 0.34
▸ TBK1 Q9UHD2 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CDK9 P50750 2/20 0.32
▸ PRKD1 Q15139 2/20 0.32
▸ PRKD2 Q9BZL6 2/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ CDC7 O00311 1/20 0.32

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
SCHEMBL17631671 0.88 USP30 (0.41) DYRK1BCDK9
SCHEMBL17632095 0.88 USP30 (0.41) DYRK1BCDK9
SCHEMBL17631644 0.84 CDK9 (0.40) TBK1CDK9PRKD1PRKD2
SCHEMBL17632600 0.79 CDK9 (0.39) CDK9
SCHEMBL17631915 0.79 CDK9 (0.35) TBK1CDK9
SCHEMBL17631866 0.79 CDK9 (0.41) CDK9
SCHEMBL17632617 0.78 CDK9 (0.42) MKNK1MKNK2DYRK1BCDK9PRKD1
SCHEMBL17631858 0.78 CDK9 (0.35) TLR9TLR8TLR7CDK9
SCHEMBL17632111 0.77 UCHL1 (0.35) TLR9TLR8TLR7DYRK1BCDK9
SCHEMBL17631859 0.76 USP30 (0.39) MKNK1MKNK2ABL1TLR9TLR8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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