SCHEMBL30954512

SCHEMBL30954512

C[C@@H]1Cn2c(cc3ncccc32)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.47
RPS6KA3 P51812 4/20 0.47
HRH3 Q9Y5N1 2/20 0.41
CDK1 P06493 1/20 0.37
RPS6KA2 Q15349 1/20 0.35
GSK3B P49841 1/20 0.35
ATAD2 Q6PL18 1/20 0.33
ALOX5 P09917 3/20 0.32
TNKS2 Q9H2K2 1/20 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
SCHEMBL30954513 1.00 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3HRH3CDK1RPS6KA2
SCHEMBL27311469 1.00 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3HRH3CDK1RPS6KA2
SCHEMBL27312679 1.00 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3HRH3CDK1RPS6KA2
SCHEMBL27311981 0.77 MAPKAPK2 (0.40) MAPKAPK2RPS6KA3HRH3ALOX5
SCHEMBL27311626 0.77 MAPKAPK2 (0.40) MAPKAPK2RPS6KA3HRH3ALOX5
SCHEMBL4751694 0.77 HRH3 (0.52) MAPKAPK2RPS6KA3HRH3RPS6KA2ALOX5
SCHEMBL27311284 0.74 PARP1 (0.44) MAPKAPK2RPS6KA3HRH3RPS6KA2
SCHEMBL30954503 0.74 PARP1 (0.44) MAPKAPK2RPS6KA3HRH3RPS6KA2
SCHEMBL30954504 0.72 SMYD2 (0.35) MAPKAPK2RPS6KA3
SCHEMBL30954498 0.72 SMYD2 (0.35) MAPKAPK2RPS6KA3

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