SCHEMBL17631644

SCHEMBL17631644

CNc1cc(-c2ccnc(N(C#N)C(=O)[C@H]3CCNC3)c2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.40
▸ GSK3B P49841 7/20 0.37
▸ PRKD1 Q15139 2/20 0.36
▸ PRKD2 Q9BZL6 2/20 0.36
▸ PRKCI P41743 3/20 0.36
▸ USP30 Q70CQ3 2/20 0.36
▸ PIK3C3 Q8NEB9 3/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL17632095 0.85 USP30 (0.41) CDK9GSK3BUSP30
SCHEMBL17631671 0.85 USP30 (0.41) CDK9GSK3BUSP30
SCHEMBL17632283 0.84 MKNK1 (0.38) CDK9PRKD1PRKD2TBK1
SCHEMBL17632570 0.80 USP30 (0.34) CDK9PRKD1PRKD2PRKCIUSP30
SCHEMBL17631866 0.79 CDK9 (0.41) CDK9GSK3BPRKCI
SCHEMBL17631915 0.79 CDK9 (0.35) CDK9TBK1
SCHEMBL17631858 0.78 CDK9 (0.35) CDK9
SCHEMBL17632111 0.77 UCHL1 (0.35) CDK9USP30
SCHEMBL17632600 0.77 CDK9 (0.39) CDK9
SCHEMBL17632617 0.76 CDK9 (0.42) CDK9GSK3BPRKD1PRKD2USP30

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 disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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