SCHEMBL31589595

SCHEMBL31589595

COC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)C2)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.43
GRM5 P41594 11/20 0.43
NR1H2 P55055 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
PDK4 Q16654 1/20 0.40
NAMPT P43490 1/20 0.40
JAK1 P23458 1/20 0.36
WNT3A P56704 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL31589298 1.00 GRM1 (0.43) GRM1GRM5NR1H2GPR119PDK4
SCHEMBL31590064 0.89 GRM1 (0.56) GRM1GRM5GPR119PDK4NAMPT
SCHEMBL31589689 0.89 NR1H2 (0.46) GRM1GRM5NR1H2GPR119
SCHEMBL3466461 0.83 PDK4 (0.44) GRM1GRM5NR1H2GPR119PDK4
SCHEMBL29220909 0.83 GPR119 (0.54) GRM1GRM5NR1H2GPR119PDK4
SCHEMBL18352271 0.82 GRM1 (0.45) GRM1GRM5NR1H2PDK4NAMPT
SCHEMBL29351210 0.82 GRM1 (0.45) GRM1GRM5NR1H2PDK4NAMPT
SCHEMBL31589212 0.81 GPR119 (0.41) GRM1GRM5NR1H2GPR119PDK4
SCHEMBL31598628 0.81 GPR119 (0.41) GRM1GRM5NR1H2GPR119PDK4
SCHEMBL24793344 0.81 GRM1 (0.39) GRM1GRM5NR1H2GPR119PDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110780-A1 NOVEL HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS DNA POLYMERASE THETA INHIBITORS FOR THE PREVENTION OR TREATMENT OF CANCER DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2025-05-30 WO disclosed
CN-120040437-A Novel heterocyclic compound and pharmaceutical composition comprising same 株式会社大熊制药 2025-05-27 CN disclosed