SCHEMBL17632002

SCHEMBL17632002

COc1ccc(N(C#N)C(=O)C2CCNC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.41
▸ REN P00797 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ CHEK1 O14757 2/20 0.34

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
SCHEMBL17632787 0.85 MEN1 (0.40) CDK9RENKDM1A
SCHEMBL17631866 0.84 CDK9 (0.41) CDK9RENALDH1A1SMN1; SMN2MC4R
SCHEMBL17631951 0.83 SLC6A2 (0.38) CHEK1
SCHEMBL17632146 0.81 USP30 (0.41) CDK9KDM1A
SCHEMBL17632326 0.80 USP30 (0.49) CDK9HPGDSCHEK1
SCHEMBL17631943 0.80 USP30 (0.49) CDK9HPGDSCHEK1
SCHEMBL17632116 0.80 CDK9 (0.38) CDK9ABL1CHEK1
SCHEMBL17631859 0.79 USP30 (0.39) KDM1AABL1CHEK1
SCHEMBL17631775 0.79 KDM4E (0.41) CDK9SMN1; SMN2ABL1
SCHEMBL17632423 0.79 CDK9 (0.40) CDK9ABL1

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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