SCHEMBL30493352

SCHEMBL30493352

CC(C)(C)OC(=O)N1CC=C(c2ncc(O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(c2ncc(O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.49
▸ GRM1 Q13255 8/20 0.46
▸ GRM5 P41594 7/20 0.46
▸ TNK2 Q07912 1/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ CYP11B2 P19099 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK13 Q14004 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL12740696 0.89 GRM1 (0.54) GPR119GRM1GRM5TNK2PDK4
SCHEMBL12740695 0.86 GPR119 (0.61) GPR119HPGDSKDM4EMAPTTHRB
SCHEMBL31736656 0.84 GRM1 (0.51) GRM1GRM5TNK2JAK1PDK4
SCHEMBL15756310 0.83 GRM1 (0.55) GPR119GRM1GRM5TNK2PDK4
SCHEMBL18009522 0.79 GRM1 (0.53) GPR119GRM1GRM5TNK2PDK4
SCHEMBL29138576 0.79 GRM1 (0.53) GPR119GRM1GRM5TNK2PDK4
SCHEMBL64701 0.79 GRM1 (0.55) GPR119GRM1GRM5TNK2PDK4
SCHEMBL27167704 0.79 GRM1 (0.53) GRM1GRM5TNK2PDK4CYP11B2
SCHEMBL15756312 0.79 GRM1 (0.59) GPR119GRM1GRM5PDK4PDE10A
SCHEMBL15001430 0.78 GRM1 (0.52) GPR119GRM1GRM5PDK4CYP11B2

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
EP-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 — — EP disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
Send feedback