SCHEMBL29562467

SCHEMBL29562467

N#CN1CCCC1c1nnc(-c2ccc3nccn3c2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 12/20 0.48
▸ DGAT2 Q96PD7 1/20 0.41
▸ PDE4A P27815 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.36
▸ TRIM24 O15164 1/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ CPT1B Q92523 1/20 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
SCHEMBL19385012 0.82 USP30 (0.67) USP30
SCHEMBL29562896 0.77 USP30 (0.59) USP30
SCHEMBL29562286 0.73 USP30 (0.47) USP30
SCHEMBL29562539 0.72 USP30 (0.54) USP30HPGD
SCHEMBL29563528 0.70 USP30 (0.57) USP30
SCHEMBL29563407 0.68 USP30 (0.63) USP30
SCHEMBL14826052 0.62 DYRK1A (0.85) PDE4APDE3ACYP3A4HPGDNFKB1
SCHEMBL29562718 0.62 USP30 (0.83) USP30
SCHEMBL19400823 0.62 USP30 (0.83) USP30
SCHEMBL29562218 0.60 USP30 (0.55) USP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433246-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-04 — — EP disclosed
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