SCHEMBL29614985

SCHEMBL29614985

N#Cc1ccnc(N2CCC(N)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
HRH4 Q9H3N8 4/20 0.48
KDR P35968 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
MALT1 Q9UDY8 1/20 0.45
MAP4K1 Q92918 2/20 0.44
KARS1 Q15046 1/20 0.43
CHRM4 P08173 1/20 0.43
HCRTR1 O43613 5/20 0.43
HCRTR2 O43614 5/20 0.43
LRRK2 Q5S007 1/20 0.43
PRKCQ Q04759 1/20 0.43
DPP4 P27487 1/20 0.42

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
SCHEMBL20051578 1.00 USP30 (0.48) USP30HRH4KDRHRH3MALT1
SCHEMBL20064100 0.91 HRH3 (0.51) USP30KDRHRH3MALT1KARS1
Hydrochloric Acid SCHEMBL3288531 0.90 HRH3 (0.50) USP30KDRHRH3MALT1KARS1
SCHEMBL20064025 0.88 HRH3 (0.42) USP30HRH4HRH3MALT1MAP4K1
SCHEMBL17843237 0.83 USP30 (0.51) USP30HRH3MALT1CHRM4HCRTR1
SCHEMBL30931655 0.81 LRRK2 (0.50) USP30HRH3MALT1HCRTR1HCRTR2
SCHEMBL15014494 0.79 HRH3 (0.54) USP30HRH3MALT1CHRM4HCRTR1
SCHEMBL30939096 0.79 MALT1 (0.43) USP30HRH3MALT1HCRTR1HCRTR2
SCHEMBL19011701 0.79 HRH3 (0.56) USP30HRH3MALT1CHRM4HCRTR1
SCHEMBL950877 0.78 DPP4 (0.51) KDRPRKCQDPP4

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
CN-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed