SCHEMBL31048002

SCHEMBL31048002

CNC(=O)c1ccc(N(C)C2CN(C(=O)OC(C)(C)C)C2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.40
GPR119 Q8TDV5 5/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
JAK3 P52333 1/20 0.38
USP30 Q70CQ3 8/20 0.37
SSTR4 P31391 1/20 0.36
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL31048028 0.88 GPR119 (0.42) JAK1GPR119DDB1CRBNJAK3
SCHEMBL25093887 0.80 USP30 (0.43) JAK1GPR119DDB1CRBNJAK3
SCHEMBL31048004 0.78 PIM1 (0.41) USP30SSTR4KMT2A
SCHEMBL27203039 0.78 PDE4B (0.41) GPR119USP30SSTR4KMT2A
SCHEMBL31048018 0.78 PIM1 (0.41) USP30SSTR4KMT2A
SCHEMBL31048035 0.76 SCN10A (0.33) SSTR4
SCHEMBL22912731 0.74 BACE1 (0.52) KMT2A
SCHEMBL30212537 0.74 BACE1 (0.52) KMT2A
SCHEMBL27202748 0.74 CNR2 (0.47) JAK1GPR119JAK3KMT2ANAMPT
SCHEMBL26123146 0.72 GPR119 (0.44) JAK1GPR119DDB1CRBNJAK3

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