SCHEMBL27166452

SCHEMBL27166452

O=C(O)c1c[nH]nc1C1CCC(COC(=O)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.33
PTGIR P43119 3/20 0.33
CNR1 P21554 1/20 0.33
CHRM3 P20309 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
LIPG Q9Y5X9 2/20 0.32
LPL P06858 1/20 0.32
PTGDR Q13258 1/20 0.32
KDM5A P29375 2/20 0.31
KDM4A O75164 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
LIPC P11150 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
SCHEMBL2214727 0.79 HCAR2 (0.42) KDM5AKDM4AHCAR2KDM4C
SCHEMBL28052660 0.74 LMNA (0.37) CNR2PTGIRCHRM3PTGDR
SCHEMBL12985873 0.73 HCAR2 (0.45) KDM5AKDM4AHCAR2KDM4C
SCHEMBL19815488 0.72 ACMSD (0.42) KDM5AKDM4AHCAR2
SCHEMBL21616804 0.69 PRKAB2 (0.39) KDM5AKDM4AHCAR2KDM4C
SCHEMBL19335252 0.67 CNR2 (0.34) CNR2CNR1CHRM3
SCHEMBL28705014 0.67 SLC1A3 (0.33) CNR2CHRM3
SCHEMBL3068424 0.66 HDAC1 (0.33)
SCHEMBL10150825 0.66 LMNA (0.50)
SCHEMBL25123646 0.66 ACHE (0.51) PTGIRCHRM3

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
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed