SCHEMBL30736760

SCHEMBL30736760

COC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
SOS1 Q07889 1/20 0.51
PDK4 Q16654 1/20 0.45
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
GRM1 Q13255 8/20 0.44
GRM5 P41594 7/20 0.44
WDR5 P61964 2/20 0.44
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
QDPR P09417 1/20 0.42
JAK1 P23458 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CYP11B2 P19099 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
SCHEMBL30736692 0.92 NAMPT (0.52) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL29071650 0.89 NAMPT (0.51) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL3039806 0.88 QDPR (0.46) NAMPTSOS1QDPR
SCHEMBL24718282 0.88 NAMPT (0.56) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL30798377 0.88 NAMPT (0.56) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL31612866 0.88 NAMPT (0.53) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL15380388 0.88 NAMPT (0.53) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL3033965 0.86 NAMPT (0.54) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL30736648 0.86 NAMPT (0.54) NAMPTSOS1PDK4CDK7CDK13
SCHEMBL19940290 0.85 NAMPT (0.53) NAMPTSOS1PDK4CDK7CDK13

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-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed