SCHEMBL30954504

SCHEMBL30954504

CC(C)(C)[Si](OC[C@@H]1Cn2c(cc3ncccc32)C(=O)N1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
MAPKAPK2 P49137 9/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL30954498 1.00 SMYD2 (0.35) SMYD2MAPKAPK2RPS6KA3
SCHEMBL30954527 0.86 SMYD2 (0.32) SMYD2MAPKAPK2RPS6KA3
SCHEMBL30954506 0.86 SMYD2 (0.32) SMYD2MAPKAPK2RPS6KA3
SCHEMBL30954522 0.80 SMYD2 (0.34) SMYD2
SCHEMBL30954500 0.80 SMYD2 (0.34) SMYD2
SCHEMBL30954512 0.72 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3
SCHEMBL27312679 0.72 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3
SCHEMBL30954513 0.72 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3
SCHEMBL27311469 0.72 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3
SCHEMBL29908414 0.68 SMYD2 (0.39) SMYD2

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