SCHEMBL30798488

SCHEMBL30798488

COC(=O)c1cc(F)c(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.48
WDR5 P61964 2/20 0.46
GRM1 Q13255 8/20 0.46
GRM5 P41594 7/20 0.46
JAK1 P23458 1/20 0.44
SCN9A Q15858 1/20 0.43
NAMPT P43490 1/20 0.43
CDK9 P50750 3/20 0.43
CCNT1 O60563 1/20 0.43
HTR6 P50406 1/20 0.43
TNF P01375 1/20 0.42
CNR1 P21554 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
SCHEMBL24718042 1.00 PDK4 (0.48) PDK4WDR5GRM1GRM5JAK1
SCHEMBL1763593 0.88 PDK4 (0.47) PDK4WDR5GRM1GRM5JAK1
SCHEMBL29803388 0.86 WDR5 (0.53) PDK4WDR5GRM1GRM5JAK1
SCHEMBL24670170 0.86 WDR5 (0.53) PDK4WDR5GRM1GRM5JAK1
SCHEMBL1764110 0.86 PDK4 (0.49) PDK4GRM1GRM5JAK1SCN9A
SCHEMBL24670885 0.84 CDK9 (0.51) PDK4WDR5GRM1GRM5JAK1
SCHEMBL1038502 0.84 PDK4 (0.52) PDK4WDR5GRM1GRM5JAK1
SCHEMBL24670953 0.84 PDK4 (0.51) PDK4WDR5GRM1GRM5JAK1
SCHEMBL12965676 0.82 GRM1 (0.52) PDK4GRM1GRM5JAK1SCN9A
SCHEMBL24671309 0.82 PDK4 (0.46) PDK4WDR5GRM1GRM5JAK1

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-4323352-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-02-21 EP disclosed