SCHEMBL30954494

SCHEMBL30954494

C[C@@H]1Cn2c(cc3ncccc32)C(=O)N1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
DUT P33316 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
P2RX7 Q99572 3/20 0.31
PDE4A P27815 1/20 0.30

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
SCHEMBL27312555 1.00 MAPK1 (0.33) MAPK1DUTHRH3P2RX7PDE4A
SCHEMBL30954493 0.83 MAPK1 (0.31) MAPK1P2RX7
SCHEMBL27312767 0.83 MAPK1 (0.31) MAPK1P2RX7
SCHEMBL27312844 0.83 MAPK1 (0.31) MAPK1P2RX7
SCHEMBL30954525 0.83 MAPK1 (0.31) MAPK1P2RX7
SCHEMBL27312556 0.81 PDE4A (0.34) HRH3P2RX7PDE4A
SCHEMBL30954517 0.81 PDE4A (0.34) HRH3P2RX7PDE4A
SCHEMBL27312687 0.73 PDE4A (0.52) PDE4A
SCHEMBL27312845 0.68
SCHEMBL30954522 0.66 SMYD2 (0.34) PDE4A

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-2024118524-A1 AZAINDOLE COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS CEREVEL THERAPEUTICS, LLC (US) 2024-06-06 WO disclosed