SCHEMBL17632116

SCHEMBL17632116

N#CN(C(=O)[C@H]1CCNC1)c1cc2ccccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.38
▸ SLC6A4 P31645 9/20 0.37
▸ SLC6A2 P23975 8/20 0.37
▸ SLC6A3 Q01959 6/20 0.37
▸ CHEK1 O14757 3/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.34
▸ ABL1 P00519 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
SCHEMBL17631880 0.86 SLC6A2 (0.35) CDK9SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL17632098 0.85 WNT1 (0.34) SLC6A4SLC6A2SLC6A3CHEK2ABL1
SCHEMBL17631956 0.82 USP30 (0.44) USP30
SCHEMBL17632600 0.82 CDK9 (0.39) CDK9
SCHEMBL17632326 0.82 USP30 (0.49) CDK9CHEK1USP30
SCHEMBL17631943 0.82 USP30 (0.49) CDK9CHEK1USP30
SCHEMBL17632154 0.81 RAB9A (0.38) CDK9CHEK1
SCHEMBL17632245 0.81 RAB9A (0.38) CDK9CHEK1
SCHEMBL17631951 0.80 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3CHEK1KCNH2
SCHEMBL17632787 0.80 MEN1 (0.40) CDK9KCNH2USP30

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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