SCHEMBL31600727

SCHEMBL31600727

CC(C)(C)OC(=O)N1CCN(c2ccnc3c2CCN3)CC12COC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.38
RET P07949 3/20 0.34
DDB1 Q16531 3/20 0.34
CRBN Q96SW2 3/20 0.34
IDH1 O75874 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
AKT1 P31749 1/20 0.31
CFTR P13569 1/20 0.31
ACHE P22303 1/20 0.31
AKT1S1 Q96B36 1/20 0.31
GPR119 Q8TDV5 4/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31

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
SCHEMBL31599864 0.91 JAK3 (0.43) JAK3RETDDB1CRBNNR1H2
SCHEMBL31599955 0.86 DDB1 (0.35) JAK3DDB1CRBNNR1H2NR1H3
SCHEMBL31600178 0.81 JAK3 (0.37) JAK3RETDDB1CRBNNR1H2
SCHEMBL31600221 0.81 DDB1 (0.46) DDB1CRBNAKT1CFTRACHE
SCHEMBL31600722 0.77 GPR119 (0.44) RETDDB1CRBNNR1H2GPR119
SCHEMBL10325519 0.76 JAK3 (0.52) JAK3RETAKT1AKT1S1
SCHEMBL31600206 0.75 EIF2AK4 (0.43) DDB1CRBNIDH1GPR119EIF2AK4
SCHEMBL31599849 0.75 MAP4K4 (0.47) DDB1CRBNNR1H2NR1H3GPR119
SCHEMBL31600921 0.75 MAP4K4 (0.47) DDB1CRBNNR1H2NR1H3GPR119
SCHEMBL31599830 0.75 MAP4K4 (0.47) DDB1CRBNNR1H2NR1H3GPR119

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed