SCHEMBL27412784

SCHEMBL27412784

CC(C)C(=O)/C=C/CN1C[C@@H]2C[C@H]1CO2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
WNT1 P04628 3/20 0.32
GSK3B P49841 3/20 0.32
DYRK1A Q13627 3/20 0.32

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
SCHEMBL27412824 0.85 CCNC (0.33) CCNCCDK8WNT1GSK3BDYRK1A
SCHEMBL27412826 0.83 CCNC (0.32) CCNCCDK8WNT1GSK3BDYRK1A
SCHEMBL4326977 0.73 CCNC (0.32) CCNCCDK8WNT1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL2074507 0.72
Hydrochloric Acid SCHEMBL2074693 0.72
SCHEMBL25098949 0.70 WNT1 (0.33) WNT1GSK3BDYRK1A
SCHEMBL25045287 0.70 WNT1 (0.39) CCNCCDK8WNT1GSK3BDYRK1A
SCHEMBL24368979 0.70 PIK3CD (0.37) WNT1GSK3BDYRK1A
SCHEMBL23374669 0.70 PIK3CD (0.37) WNT1GSK3BDYRK1A
SCHEMBL24820178 0.70 PIK3CD (0.37) WNT1GSK3BDYRK1A

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-2024138206-A1 FLUOROPYRIDOPYRIMIDINE AND FLUOROQUINAZOLINE DERIVATIES AND METHODS OF USE THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-06-27 WO disclosed