SCHEMBL17632570

SCHEMBL17632570

CSCC[C@H](NNc1cc(-c2ccnc(N(C#N)C(=O)[C@H]3CCNC3)c2)ccn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.34
▸ CDK9 P50750 2/20 0.33
▸ UBE2N P61088 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.31
▸ FNTA P49354 2/20 0.30
▸ FNTB P49356 2/20 0.30
▸ PGGT1B P53609 1/20 0.30
▸ PRKCI P41743 1/20 0.30
▸ PRKD1 Q15139 2/20 0.30
▸ PRKD2 Q9BZL6 2/20 0.30

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
SCHEMBL17631644 0.80 CDK9 (0.40) USP30CDK9TBK1PRKCIPRKD1
SCHEMBL17631671 0.78 USP30 (0.41) USP30CDK9
SCHEMBL17632095 0.78 USP30 (0.41) USP30CDK9
SCHEMBL17632283 0.73 MKNK1 (0.38) CDK9TBK1PRKD1PRKD2
SCHEMBL17631866 0.68 CDK9 (0.41) CDK9PRKCI
SCHEMBL17631915 0.68 CDK9 (0.35) CDK9TBK1
SCHEMBL17632111 0.68 UCHL1 (0.35) USP30CDK9
SCHEMBL17631858 0.67 CDK9 (0.35) CDK9
SCHEMBL17632600 0.67 CDK9 (0.39) CDK9
SCHEMBL17632617 0.66 CDK9 (0.42) USP30CDK9PRKD1PRKD2

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-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
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