SCHEMBL17631689

SCHEMBL17631689

Cc1cnc(N(C#N)C(=O)C2CCNC2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CDK9 P50750 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP30 Q70CQ3 2/20 0.32
▸ PTGIR P43119 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ REN P00797 1/20 0.31
▸ CYP46A1 Q9Y6A2 1/20 0.31
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31

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
SCHEMBL17632085 0.85 CDK9 (0.36) CDK9USP30REN
SCHEMBL17632036 0.81 USP30 (0.50) CHEK1USP30
SCHEMBL17632104 0.81 SLC6A2 (0.33) CDK9
SCHEMBL17632491 0.80 CHEK1 (0.42) CHEK1USP30
SCHEMBL17632487 0.80 USP30 (0.41) CHEK1USP30KDM1A
SCHEMBL17632047 0.80 USP30 (0.41) CHEK1USP30KDM1A
SCHEMBL17631612 0.80 — —
SCHEMBL17632016 0.79 USP30 (0.40) CHEK1USP30KDM1A
SCHEMBL17631430 0.79 USP30 (0.38) CHEK1USP30
SCHEMBL17632525 0.79 CHEK1 (0.41) CDK9CHEK1CYP2D6USP30CHRNB2

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 2 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
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