SCHEMBL21879895

SCHEMBL21879895

Cn1c(C=O)nc(C#N)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.39
POLR1A O95602 1/20 0.39
PARP1 P09874 3/20 0.37
NSD2 O96028 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL21880092 0.87 USP30 (0.41) USP30POLR1APARP1HDAC4HDAC6
SCHEMBL23930984 0.86 USP30 (0.40) USP30POLR1APARP1HDAC4HDAC6
SCHEMBL23930977 0.86 USP30 (0.44) USP30POLR1APARP1HDAC4HDAC6
SCHEMBL21879973 0.84 USP30 (0.39) USP30POLR1APARP1HDAC4HDAC6
SCHEMBL23930967 0.81 USP30 (0.49) USP30POLR1APARP1ADORA2AADORA2B
SCHEMBL21879837 0.78 USP30 (0.43) USP30POLR1APARP1ADORA2AADORA2B
SCHEMBL21880100 0.77 USP30 (0.43) USP30POLR1APARP1HDAC4HDAC6
SCHEMBL23931020 0.76 GABRA5 (0.36) USP30POLR1APARP1HDAC4HDAC6
SCHEMBL23930993 0.76 PIK3CD (0.39) USP30POLR1APARP1HDAC4HDAC6
SCHEMBL21880034 0.76 ADORA2A (0.38) USP30POLR1APARP1HDAC4HDAC6

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
WO-2020085493-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-04-30 WO disclosed