SCHEMBL17631858

SCHEMBL17631858

Cc1oncc1-c1cc(-c2ccnc(N(C#N)C(=O)[C@H]3CCNC3)c2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.35
▸ UCHL1 P09936 1/20 0.33
▸ TLR9 Q9NR96 2/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ CTSK P43235 1/20 0.30
▸ CTSC P53634 1/20 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
SCHEMBL17632111 0.90 UCHL1 (0.35) CDK9UCHL1TLR9TLR8TLR7
SCHEMBL17632095 0.79 USP30 (0.41) CDK9
SCHEMBL17631671 0.79 USP30 (0.41) CDK9
SCHEMBL17632283 0.78 MKNK1 (0.38) CDK9TLR9TLR8TLR7
SCHEMBL17631644 0.78 CDK9 (0.40) CDK9
SCHEMBL17631866 0.73 CDK9 (0.41) CDK9
SCHEMBL17631915 0.73 CDK9 (0.35) CDK9
SCHEMBL17631887 0.72 USP30 (0.44) UCHL1CTSKCTSC
SCHEMBL17632617 0.72 CDK9 (0.42) CDK9UCHL1
SCHEMBL17632787 0.71 MEN1 (0.40) CDK9

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
Send feedback