SCHEMBL31048004

SCHEMBL31048004

CNC(=O)c1ccc(NC2CN(C(=O)OC(C)(C)C)C2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
USP30 Q70CQ3 6/20 0.40
EHMT2 Q96KQ7 1/20 0.40
BACE1 P56817 1/20 0.39
POLR1A O95602 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
BTK Q06187 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SSTR4 P31391 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL31048018 1.00 PIM1 (0.41) PIM1PIM2USP30EHMT2BACE1
SCHEMBL31048007 0.88 NR1H2 (0.44) PIM1PIM2USP30EHMT2POLR1A
SCHEMBL27203039 0.82 PDE4B (0.41) USP30KMT2ASSTR4
SCHEMBL29148532 0.80 USP30 (0.48) USP30ALDH1A1MAPTBTKNPC1
SCHEMBL30849217 0.80 USP30 (0.48) USP30ALDH1A1MAPTBTKNPC1
SCHEMBL29148533 0.80 USP30 (0.48) USP30ALDH1A1MAPTBTKNPC1
SCHEMBL25215675 0.79 USP30 (0.49) USP30ALDH1A1MAPTMEN1TSHR
SCHEMBL31048002 0.78 JAK1 (0.40) USP30KMT2ASSTR4
SCHEMBL22912731 0.78 BACE1 (0.52) BACE1ALDH1A1MAPTMEN1TSHR
SCHEMBL30212537 0.78 BACE1 (0.52) BACE1ALDH1A1MAPTMEN1TSHR

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-2024178125-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-08-29 WO disclosed