SCHEMBL17632787

SCHEMBL17632787

Cc1ccc(N(C#N)C(=O)C2CCNC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM1A O60341 6/20 0.38
▸ CDK9 P50750 1/20 0.36
▸ KCNH2 Q12809 4/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.33
▸ REN P00797 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32

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
SCHEMBL17632146 0.91 USP30 (0.41) MEN1CYP2D6KMT2AKDM1ACDK9
SCHEMBL17631951 0.86 SLC6A2 (0.38) KCNH2
SCHEMBL17632002 0.85 CDK9 (0.41) KDM1ACDK9REN
SCHEMBL17631696 0.85 USP30 (0.41) KDM1ACDK9KCNH2USP30SYK
SCHEMBL17632423 0.84 CDK9 (0.40) MEN1CYP2D6KMT2ACDK9USP30
SCHEMBL17631943 0.83 USP30 (0.49) CDK9USP30
SCHEMBL17632326 0.83 USP30 (0.49) CDK9USP30
SCHEMBL17631859 0.82 USP30 (0.39) KDM1AUSP30
SCHEMBL17631775 0.82 KDM4E (0.41) KMT2ACDK9
SCHEMBL17632600 0.81 CDK9 (0.39) 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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