SCHEMBL30954516

SCHEMBL30954516

C[C@H]1Cn2c(c(Br)c3ncccc32)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
PDE4A P27815 14/20 0.40
MAPKAPK2 P49137 2/20 0.35
RPS6KA3 P51812 1/20 0.35
ALOX5 P09917 1/20 0.34
TSHR P16473 1/20 0.33
GFER P55789 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
SCHEMBL27312680 1.00 CDK5 (0.41) CDK5CDK5R1PDE4AMAPKAPK2RPS6KA3
SCHEMBL30954490 0.76 PDE4A (0.40) CDK5CDK5R1PDE4A
SCHEMBL27311286 0.76 PDE4A (0.40) CDK5CDK5R1PDE4A
SCHEMBL27312683 0.74 PDE4A (0.61) PDE4A
SCHEMBL27312557 0.72 PDE4A (0.43) CDK5CDK5R1PDE4ATSHRGFER
SCHEMBL30954513 0.71 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3ALOX5
SCHEMBL30954512 0.71 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3ALOX5
SCHEMBL27311469 0.71 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3ALOX5
SCHEMBL27312679 0.71 MAPKAPK2 (0.47) MAPKAPK2RPS6KA3ALOX5
SCHEMBL18330235 0.69 PDE4A (0.50) 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