SCHEMBL17632085

SCHEMBL17632085

CC(C)(C)c1cnc(N(C#N)C(=O)C2CCNC2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 5/20 0.36
▸ CDK7 P50613 3/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ CCNH P51946 2/20 0.36
▸ CDK2 P24941 5/20 0.35
▸ CCNE1 P24864 4/20 0.35
▸ CCNE2 O96020 3/20 0.35
▸ CIT O14578 1/20 0.35
▸ CASK O14936 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ GAK O14976 1/20 0.35
▸ DCLK1 O15075 1/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ ULK1 O75385 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ PAK3 O75914 1/20 0.35
▸ CDKL5 O76039 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ CDK14 O94921 1/20 0.35
▸ CCNB2 O95067 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
SCHEMBL17631689 0.85 SMN1; SMN2 (0.35) CDK9USP30REN
SCHEMBL17632104 0.78 SLC6A2 (0.33) CDK9
SCHEMBL17632036 0.78 USP30 (0.50) MKNK1USP30
SCHEMBL17632487 0.78 USP30 (0.41) GSK3BDYRK1AUSP30
SCHEMBL17632491 0.78 CHEK1 (0.42) GSK3BDYRK1AUSP30
SCHEMBL17631612 0.78 — —
SCHEMBL17632047 0.78 USP30 (0.41) BRAFGSK3BDYRK1ADYRK1BUSP30
SCHEMBL17632442 0.77 CHEK1 (0.44) GSK3BUSP30
SCHEMBL17631680 0.77 CHEK1 (0.40) GSK3BDYRK1AUSP30
SCHEMBL17632937 0.77 CHEK1 (0.37) CDK9USP30

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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