SCHEMBL17632423

SCHEMBL17632423

Cc1ccccc1-c1ccc(N(C#N)C(=O)C2CCNC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ ABL1 P00519 3/20 0.39
▸ GRIN2B Q13224 2/20 0.36
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33

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
SCHEMBL17632326 0.87 USP30 (0.49) CDK9USP30GRIN2B
SCHEMBL17631943 0.87 USP30 (0.49) CDK9USP30GRIN2B
SCHEMBL17632146 0.86 USP30 (0.41) CDK9USP30GRIN2BMEN1CYP2D6
SCHEMBL17631696 0.85 USP30 (0.41) CDK9USP30ABL1GRIN2B
SCHEMBL17632076 0.84 USP30 (0.39) CDK9USP30ABL1
SCHEMBL17632787 0.84 MEN1 (0.40) CDK9USP30MEN1CYP2D6KMT2A
SCHEMBL17631958 0.82 MKNK1 (0.45) USP30ABL1HDAC1HDAC2CYP1A2
SCHEMBL17631859 0.82 USP30 (0.39) USP30ABL1
SCHEMBL17631951 0.79 SLC6A2 (0.38) —
SCHEMBL17632600 0.79 CDK9 (0.39) CDK9CYP1A2

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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