SCHEMBL23949225

SCHEMBL23949225

Cc1cc(C(=O)c2cc(C#N)ccc2-c2ncc(CCNC(=O)OC(C)(C)C)cn2)cc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.44
PPARG P37231 2/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
GPBAR1 Q8TDU6 3/20 0.38
EGLN1 Q9GZT9 3/20 0.38
ERG P11308 3/20 0.38
RAF1 P04049 6/20 0.36
BRAF P15056 6/20 0.36
BRD4 O60885 1/20 0.36
CYP3A4 P08684 2/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL25568289 0.89 AKT1 (0.37) AKT1PPARGCCNCCDK8GPBAR1
SCHEMBL30257455 0.87 AKT1 (0.43) AKT1CCNCCDK8GPBAR1EGLN1
SCHEMBL25058669 0.87 AKT1 (0.43) AKT1CCNCCDK8GPBAR1EGLN1
SCHEMBL30257143 0.85 PPARG (0.41) AKT1PPARGEGLN1
SCHEMBL23949229 0.85 PPARG (0.41) AKT1PPARGEGLN1
SCHEMBL25555593 0.83 PPARG (0.42) AKT1PPARGEGLN1
SCHEMBL25567640 0.79 AKT1 (0.37) AKT1CCNCCDK8GPBAR1EGLN1
SCHEMBL23949944 0.77 AKT1 (0.43) AKT1CCNCCDK8GPBAR1ERG
SCHEMBL30353355 0.77 AKT1 (0.43) AKT1CCNCCDK8GPBAR1ERG
SCHEMBL25556285 0.75 CCNC (0.39) CCNCCDK8CTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
WO-2021210650-A1 ARYL OR HETEROARYL DERIVATIVE 帝人ファーマ株式会社 2021-10-21 WO disclosed