SCHEMBL25944404

SCHEMBL25944404

CC1(C)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.71
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
ATAD2 Q6PL18 1/20 0.44

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
SCHEMBL6072306 0.86 PGR (0.58) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL20252517 0.85 PGR (0.53) PGR
SCHEMBL3518135 0.84 PGR (1.00) PGRPDE3BPDE3A
SCHEMBL31020836 0.79 PGR (0.48) PGR
SCHEMBL7371913 0.79 PGR (0.48) PGR
SCHEMBL30018222 0.79 PGR (0.48) PGRPDK2
SCHEMBL9375907 0.77 PGR (0.50) PGR
SCHEMBL3526703 0.77 PGR (1.00) PGR
SCHEMBL19241067 0.77 PGR (0.46) PGR
SCHEMBL11435723 0.76 PGR (0.46) PGR

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-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed