SCHEMBL17631915

SCHEMBL17631915

CC(C)(C)c1ccnc(N(C#N)C(=O)[C@H]2CCNC2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.35
▸ BRAF P15056 2/20 0.33
▸ REN P00797 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL17631866 0.82 CDK9 (0.41) CDK9REN
SCHEMBL17632600 0.80 CDK9 (0.39) CDK9
SCHEMBL17632095 0.80 USP30 (0.41) CDK9
SCHEMBL17631671 0.80 USP30 (0.41) CDK9
SCHEMBL17632283 0.79 MKNK1 (0.38) CDK9TBK1
SCHEMBL17631644 0.79 CDK9 (0.40) CDK9TBK1
SCHEMBL17631709 0.77 FLT3 (0.43) FLT3
SCHEMBL17632787 0.76 MEN1 (0.40) CDK9RENMAPK1MEN1CYP2D6
SCHEMBL17632116 0.75 CDK9 (0.38) CDK9
SCHEMBL17632617 0.75 CDK9 (0.42) 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
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