SCHEMBL29611764

SCHEMBL29611764

CC(C)(C)OC(=O)N1CC=C(c2nc(Cl)ncc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.53
GRM5 P41594 9/20 0.53
TNK2 Q07912 1/20 0.47
CDK9 P50750 1/20 0.46
PDE10A Q9Y233 1/20 0.45
PDK4 Q16654 1/20 0.45
ATR Q13535 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
CYP11B2 P19099 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL30919589 0.89 TNK2 (0.48) GRM1GRM5TNK2PDE10APDK4
SCHEMBL15942450 0.86 GRM1 (0.50) GRM1GRM5TNK2PDE10APDK4
SCHEMBL30513849 0.83 GRM1 (0.54) GRM1GRM5TNK2PDE10APDK4
SCHEMBL31583898 0.83 GRM1 (0.55) GRM1GRM5TNK2CDK9PDE10A
SCHEMBL30919924 0.83 DGAT2 (0.39) GRM1GRM5CDK9GPR119
SCHEMBL31640027 0.82 PDK4 (0.52) GRM1GRM5TNK2PDK4
SCHEMBL13275649 0.82 CYP11B2 (0.54) GRM1GRM5TNK2PDK4GPR119
SCHEMBL29611478 0.80 GRM5 (0.51) GRM1GRM5TNK2CDK9PDE10A
SCHEMBL22328950 0.80 GRM1 (0.57) GRM1GRM5TNK2CDK9PDE10A
SCHEMBL25119907 0.79 GRM1 (0.54) GRM1GRM5TNK2CDK9PDE10A

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-2022051565-A1 SUBSTITUTED 4-PIPERIDINYL-QUINAZOLINES, 4-PIPERIDINYL-PYRIMIDINE-2-AMINES, AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 WO disclosed